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wei537113

铜虫 (小有名气)

[求助] 求助:各位虫爷,求微谱!八百里加急!!!靠你们了!

求化合物微谱相关化合物:13C NMR (101 MHz, CDCl3) δ 168.81, 166.97, 145.23, 140.96, 138.77, 137.58, 134.87, 132.86, 131.04, 128.80, 128.34, 127.75, 127.20, 127.03, 127.00, 124.77, 124.14, 123.54, 123.23, 120.35, 115.25, 52.39.
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wei537113

铜虫 (小有名气)

送鲜花一朵
引用回帖:
2楼: Originally posted by fly-higher at 2012-05-13 20:57:57:
你太看得起小木虫的人了,一个碳谱想解决问题,很难哦!!

额  这位同学 是没用过微谱的吧?、
3楼2012-05-13 21:33:17
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wei537113

铜虫 (小有名气)

送鲜花一朵
wei537113: 回帖置顶 2012-05-14 00:37:07
引用回帖:
5楼: Originally posted by caizhengjun at 2012-05-13 22:26:02:
从碳的化学位移基本都是芳氢看,这个化合物很可能是两分子蒽酮通过C10-C10’连接的二蒽酮类化合物,其中一分子上连有-CH2OH(化学位移52.39),另一分子连有-COOH。总碳数应该还要多。

你是说是一个二聚体吗?
6楼2012-05-14 00:08:23
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caizhengjun

木虫 (著名写手)

【答案】应助回帖


leecius: 金币+1, 谢谢! 2012-05-14 09:04:11
wei537113: 回帖置顶 2012-05-14 13:58:10
楼主可以参考我附图的结构,你的化合物应该是这类结构,碳肯定有重叠的,按说更应该是以苷的形式出现而不是苷元啊

二蒽酮

既然选择走上科研道路,就要学会坚强!
12楼2012-05-14 08:57:29
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caizhengjun

木虫 (著名写手)

wei537113: 回帖置顶 2012-05-14 14:00:18
我觉得我解出来了,

支链是两个羧基



碳谱位移



模拟的碳谱,基本吻合

既然选择走上科研道路,就要学会坚强!
15楼2012-05-14 09:13:35
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kaola0916

铁杆木虫 (著名写手)

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与,应助指数 +1
wei537113: 金币+30, ★★★很有帮助 2012-05-14 09:00:19
leecius: 金币+2, 谢谢参与! 2012-05-14 09:04:02
查询模式:模糊查询  
碳谱数据输入:
按从小到大顺序输入,数字间用英文半角逗号(,)分隔例如:
21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2
52.39,115.25,120.35,123.23,123.54,124.14,124.77,127.00,127.03,127.20,127.75,128.34,128.80,131.04,132.86,134.87,137.58,138.77,140.96,145.23,166.97,168.81  
溶剂选项: 全部 CDCl3 CD3CD2OD CD2Cl2 C5D5N C3D7NO CD3SOCD3 C4D8O (CH3)4Si C4D8O2 CD3COOD C4D8O2 H2O D2O CF3COOD CD3OD ND3 CD3COCD3 C6D6 CD3CN 查询空值  
匹配容差: (数字格式,可自行设定)
相似度:  %(相似度>=50%)  




查询结果:共查到4459个化合物(查询结果仅供参考)  
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1 .     N-(2-Carbomethoxyphenyl)-2-chloro-3-(naphthalen-2-yl)-but-2(Z)-enamide
    相似度:81.8%
Bioorganic & Medicinal Chemistry Letters          2003          13          1-4
Inhibition of Telomerase by BIBR 1532 and Related Analogues
D. K. Barma, Anissa Elayadi, J. R. Falck and David R. Corey
Structure      13C NMR   碳谱模拟图

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2 .     (±)-N-[4-(Aminosulfonyl)-2-methylphenyl]-2-{4-chloro-2-[hydroxyl(3,4-dichlorophenyl)methyl]phenoxyl}acetamide
C22H19Cl3N2O5S     相似度:72.7%
Bioorganic & Medicinal Chemistry          2011          19          4704-4709
Synthesis and biological evaluation of (±)-benzhydrol derivatives as potent non-nucleoside HIV-1 reverse transcriptase inhibitors
Xiao-Dong Ma, Xuan Zhang, Shi-Qiong Yang, Hui-Fang Dai, Liu-Meng Yang, Shuang-Xi Gu, Yong-Tang Zheng, Qiu-Qin He, Fen-Er Chen
Structure      13C NMR   碳谱模拟图

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3 .     11b,12-dihydro-5,11b-thioepoxy[2',1']-naphthaleno-5H-isoindolo[2,1-b]isoquinolin-7-one
C26H16NOS     相似度:72.7%
Organic letters          2000          2          1201-1204
Formation of New 5,11b-Bridged Isoindolo[2,1-b]isoquinolinones Alkaloids through a Tandem Pummerer/π-Cationic Cyclization
Nicolas Hucher, Adam Daich, and Bernard Decroix
Structure      13C NMR   碳谱模拟图

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4 .     N-[2-(4-phenyl-1H-imidazol-2-yl)phenyl]benzamide
C22H17N3O     相似度:72.7%
Heterocycles          2007          71          269-280
The Study of Cyclization of N-Acylphenacyl Anthranilates with Ammonium Salts under Various Conditions
Pavel Hradil, Martin Grepl, Jan Hlavac, and Antonin Lycka
Structure      13C NMR   碳谱模拟图

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5 .     (E)-3-Phenyl-2-propenal 1-(benzothiophen-7-ylmethyl)-1-methyl-hydrazone
C19H18N2S     相似度:72.7%
Pharmazie          2000          55          483-489
L. Auzzas - M. Palomba - G. Boatta - P. Manconi - A. Pau - A. Becciu - R. Cerri - V. Tullio - J. Roana - N. Carlone
Antidermatophytic action of new 1-naphthylmethyl and benzothiophen-7-ylmethyl hydrazones related to inhibitors of squalene epoxidase
Structure      13C NMR   碳谱模拟图

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6 .     compound (p,p,s)-2
C22H20O6     相似度:72.7%
Tetrahedron Letters          2003          44          3683-3686
Synthesis of optically active bihelicenols
Daisuke Nakano, Rie Hirano, Masahiko Yamaguchi, Chizuko Kabuto
Structure      13C NMR   碳谱模拟图

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7 .     1,3-bis(4-chlorophenyl)-9H-thioxanthen-9-one
C25H13Cl2OS     相似度:72.7%
Tetrahedron          2012          68          711-721
Suzuki–Miyaura reactions of the bis(triflates) of 1,3- and 1,4-dihydroxythioxanthone. Electronic and steric effects on the site-selectivity
Dhafer Saber Zinad, Holger Feist, Alexander Villinger, Peter Langer
Structure      13C NMR   碳谱模拟图

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8 .     1-anilino-2,3,10-trimethoxycarbonyl-4-methylbenz[a]azulene
C27H23NO6     相似度:72%
Heterocycles          2001          54          647-665
New Synthetic Approach to Azuleno[1,2-c]pyrroles and Conversion to Benz[a]azulenes
Dao-Lin Wang and Kimiaki Imafuku
Structure      13C NMR   碳谱模拟图

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9 .     (±)-N-[4-(Aminosulfonyl)-2-methylphenyl]-2-{4-chloro-2-[hydroxyl(3-methylphenyl)methyl]phenoxyl}acetamide
C23H23ClN2O5S     相似度:69.5%
Bioorganic & Medicinal Chemistry          2011          19          4704-4709
Synthesis and biological evaluation of (±)-benzhydrol derivatives as potent non-nucleoside HIV-1 reverse transcriptase inhibitors
Xiao-Dong Ma, Xuan Zhang, Shi-Qiong Yang, Hui-Fang Dai, Liu-Meng Yang, Shuang-Xi Gu, Yong-Tang Zheng, Qiu-Qin He, Fen-Er Chen
Structure      13C NMR   碳谱模拟图

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10 .     (±)-N-[4-(Aminosulfonyl)-2-methylphenyl]-2-{4-chloro-2-[hydroxyl(3-chlorphenyl)methyl]phenoxyl}acetamide
C22H20Cl2N2O5S     相似度:69.5%
Bioorganic & Medicinal Chemistry          2011          19          4704-4709
Synthesis and biological evaluation of (±)-benzhydrol derivatives as potent non-nucleoside HIV-1 reverse transcriptase inhibitors
Xiao-Dong Ma, Xuan Zhang, Shi-Qiong Yang, Hui-Fang Dai, Liu-Meng Yang, Shuang-Xi Gu, Yong-Tang Zheng, Qiu-Qin He, Fen-Er Chen
Structure      13C NMR   碳谱模拟图

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11 .     7a-azonia-5-thia[6]helicene Hexafluorophosphate
C23H14NSPF     相似度:69.5%
Journal of Heterocyclic Chemistry          2006          43          177-181
The synthesis of new azoniathiahelicenes
Kiyoshi Sato,Yuu Katayama,Takamichi Yamagishi and Sadao Arai
Structure      13C NMR   碳谱模拟图

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12 .     (7S,13br)-7-phenyl-7H,9H,13bH-naphth[2',1':5,6][1,3]-oxazino[2,3-a]isoindol-9-one
C25H17NO2     相似度:69.5%
Journal of Heterocyclic Chemistry          2004          41          367-373
Transformation reactions of the betti base analog aminonaphthols
István Szatmári,Anasztázia Hetényi,László Lázár and Ferenc Fülöp
Structure      13C NMR   碳谱模拟图

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13 .     serpentene methyl ester
C21H22O2     相似度:68.1%
Journal of Natural Products          2004          67          1631-1633
Novel Polyene Carboxylic Acids from Streptomyces
Silke C. Wenzel, and Helge B. Bode
Structure      13C NMR   碳谱模拟图

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14 .     compound 3
C22H22O4     相似度:68.1%
Journal of Natural Products          2004          67          1631-1633
Novel Polyene Carboxylic Acids from Streptomyces
Silke C. Wenzel, and Helge B. Bode
Structure      13C NMR   碳谱模拟图

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15 .     compound 1
C26H16O     相似度:68.1%
Molecules          2001          6          442-447
Facile and Fast Pinacol Rearrangement by AlCl3 in the Solid State
Parviz Rashidi-Ranjbar and Ebrahim Kianmehr
Structure      13C NMR   碳谱模拟图

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16 .     2-[(E)-2-[4-(1H-Benzo[d]triazole-1-yl)phenyl]vinyl]-1,3-benzothiazole-3-oxide
    相似度:68.1%
Molecules          2009          14          5382-5388
New Conjugated Benzothiazole-N-oxides: Synthesis and Biological Activity
Peter Gajdoš, Peter Magdolen, Pavol Zahradník and Pavlína Foltínová
Structure      13C NMR   碳谱模拟图

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17 .     N-Benzyl-1-[3-(trifluoromethyl)phenyl-amino]isoquinoline-4-carboxamide
C24H18F3N3O     相似度:68.1%
Bioorganic & Medicinal Chemistry          2011          19          939-950
Microwave-assisted synthesis of quinoline, isoquinoline, quinoxaline and quinazoline derivatives as CB2 receptor agonists
Raimo Saari, Jonna-Carita Törmä, Tapio Nevalainen
Structure      13C NMR   碳谱模拟图

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18 .     2-(3-chloro-naphthalen-2-yl)-1H-benzoimidazole
C17H11N2Cl     相似度:68.1%
Canadian Journal of Chemistry          2009          87          1692-1703
Benzimidazole quinoline derivatives - An effective green fluorescent dye for bacterial imaging
Mahalingam Malathi, Palathurai Subramaniam Mohan, Raymond J. Butcher, and Chidambaram Kulandaisamy Venil
Structure      13C NMR   碳谱模拟图

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19 .     (±)-N-[4-(Aminosulfonyl)-2-methylphenyl]-2-{4-chloro-2-[hydroxyl(2-chlorphenyl)methyl]phenoxyl}acetamide
C22H20Cl2N2O5S     相似度:68.1%
Bioorganic & Medicinal Chemistry          2011          19          4704-4709
Synthesis and biological evaluation of (±)-benzhydrol derivatives as potent non-nucleoside HIV-1 reverse transcriptase inhibitors
Xiao-Dong Ma, Xuan Zhang, Shi-Qiong Yang, Hui-Fang Dai, Liu-Meng Yang, Shuang-Xi Gu, Yong-Tang Zheng, Qiu-Qin He, Fen-Er Chen
Structure      13C NMR   碳谱模拟图

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20 .     6-(Dibenzo[b,d]thiophen-4-yl)-2-hydroxyisoquinoline-1,3(2H,4H)-dione
C21H13NO3S     相似度:68.1%
Bioorganic & Medicinal Chemistry          2012          20          467-479
The design, synthesis and biological evaluations of C-6 or C-7 substituted 2-hydroxyisoquinoline-1,3-diones as inhibitors of hepatitis C virus
Yue-Lei Chen, Jing Tang, Matthew J. Kesler, Yuk Y. Sham, Robert Vince, Robert J. Geraghty,Zhengqiang Wang
Structure      13C NMR   碳谱模拟图

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21 .     compound 9
    相似度:68.1%
Tetrahedron Letters          2000          41          1091-1094
Indium mediated Barbier reactions of 1,2-diones: a facile synthesis of α-hydroxy ketones
Vijay Nair, C. N. Jayan
Structure      13C NMR   碳谱模拟图

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22 .     1-(phenyl(pyridine-3-ylamino)methyl)naphthalene-2-ol
C22H18N2O     相似度:68.1%
Journal of Heterocyclic Chemistry          2009          46          914-918
Synthesis of novel naphth[1,2-f][1,4]oxazepine-3,4-dione heterocycles
Mehdi Ghandi,Abolfazl Olyaei and Saeed Raoufmoghaddam
Structure      13C NMR   碳谱模拟图

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23 .     compound 7e
    相似度:68.1%
Journal of Heterocyclic Chemistry          2007          44          1413-1419
N-alkyl-4-chloro-1H-benzo[c][1,2]thiazine-3-carbaldehyde-2,2-dioxides—New functional benzothiazine derivatives
Yulian Volovenko,Tatyana Volovnenko and Kirill Popov
Structure      13C NMR   碳谱模拟图

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24 .     (Z)-3-(2,3-dihydro-2-phenylbenzo[1,4]thiazepin-4(5H)-ylidene)chroman-2-one
C24H19NO2S     相似度:68.1%
Journal of Heterocyclic Chemistry          2007          44          1453-1458
Synthesis of benzo[1,4]thiazepines by the reaction of 3-aryl-1-(3-coumarinyl)propen-1-ones with 2-aminothiophenol
Albert Lévai,József Jekő,Tímea Gondos,András Simon and Gábor Tóth
Structure      13C NMR   碳谱模拟图

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25 .     3-(4-chlorophenyl)-8-methoxy-1-phenyl-5,6,7,8-tetrahydro-1H-benzo[h]pyrazolo[3,4-b]quinoline
C27H20ClN3O     相似度:68.1%
Journal of Heterocyclic Chemistry          2006          43          1169-1175
A convenient route for the synthesis of pyrazolo[3,4-d]pyrimidine,pyrazolo[3,4-b][1,6]naphthyridine and pyrazolo[3,4-b]quinoline derivatives
Madhukar N. Jachak,Appasaheb B. Avhale,Vijay J. Medhane and Raghunath B. Toche
Structure      13C NMR   碳谱模拟图

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26 .     2-methyl-1-(l-naphthyl)-4,9-dihydro-3H-3,4-carbazoldione
    相似度:68.1%
Journal of Heterocyclic Chemistry          2003          40          411-417
Synthesis and biological evaluation of structural variants of carbazoquinocin C
Alparslan Aygün and Ulf Pindur
Structure      13C NMR   碳谱模拟图

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27 .     methyl 4-{[(2-methylanilino)carbonyl]amino}-1,3-diphenyl-1H-5-pyrazolecarboxylate
C25H11N4O3     相似度:68.1%
Journal of Heterocyclic Chemistry          2000          37          1247-1252
A convenient synthesis of pyrazolo[3,4-d]pyrimidine-4,6-dione and pyrazolo[4,3-d]pyrimidine-5,7-dione derivatives
M. El Haddad, M. Soukri, S. Lazar, A. Bennamara, G. Guillaumet and M. Akssira
Structure      13C NMR   碳谱模拟图

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28 .     1-phenylsulfonyl-N-((3-(phenylthio)-1H-indol-2-yl)methyl)acetamide
C23H20N2O3S2     相似度:68.1%
Indian Journal of Chemistry          2010          49B          327-334
Lewis-acid mediated acetamidation of N-pro­tected bromomethylindoles
Vasudevan Dhayalan & Arasambattu K Mohanakrishnan*
Structure      13C NMR   碳谱模拟图

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29 .     compound 3h
C21H17NO2     相似度:68.1%
Heterocycles          2010          80          765-771
Enantioselective Synthesis of 2-Aryl-2,3-dihydro-4-quinolones by Chiral Brønsted Acid Catalyzed Intramolecular Aza-Michael Addition Reaction
Zhen Feng, Qing-Long Xu, Li-Xin Dai, and Shu-Li You
Structure      13C NMR   碳谱模拟图

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30 .     1-benzyl-2-(4-fluorophenyl)-3-methylpyrrolo[2,3-b]quinoline
C25H19N2F     相似度:68.1%
Heterocycles          2003          60          1821-1831
A Convenient Diversification of Pyrrolo[2,3-b]quinolines by Iodonation and Palladium-catalyzed Coupling Reactions
Won Jung Lee, Moon Bae Gee, and Eul Kgun Yum*
Structure      13C NMR   碳谱模拟图

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31 .     compound
    相似度:68.1%
Tetrahedron Letters          2003          44          4369-4371
Microwave-assisted multi-component synthesis of fused 3-aminoimidazoles
Sarah M. Ireland, Heather Tye, Mark Whittaker
Structure      13C NMR   碳谱模拟图

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32 .     compound 4
C20H15NO2     相似度:68.1%
Tetrahedron Letters          2004          45          6265-6268
Synthesis of 5-alkoxymethyl- and 5-aminomethyl-substituted 8-hydroxyquinoline derivatives and their luminescent Al(III) complexes for OLED applications
Amaresh Mishra, Pabitra K. Nayak, N. Periasamy
Structure      13C NMR   碳谱模拟图

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33 .     6-Chloro-2-(2-naphthyl)-4-phenyl-1,2-dihydroquinazoline N3-oxide
C24H17N2OCl     相似度:68.1%
Archiv der Pharmazie          2004          337          239-246
New Derivatives of Quinazoline and 1,2-Dihydroquinazoline N3-Oxide with Expected Antitumor Activity
Elżbieta Mikiciuk-Olasik, Katarzyna Baszczak-Światkiewiz, Elżbieta Żurek, Urszula Krajewska, Marek Różalski, Rafał Kruszyński and Tadeusz J. Bartczak
Structure      13C NMR   碳谱模拟图

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34 .     3-(3-Phenyl-1H-isochromen-1-yl)-1H-indole
C23H17NO     相似度:68.1%
Heterocycles          2011          82          1239-1249
Generation of 3-(1H-Isochromen-1-yl)-1H-indole via Silver Triflate-Catalyzed Tandem Reaction of 2-Alkynylbenzaldehyde with Indole
Banlai Ouyang, Jianjun Yuan, Qin Yang, Qiuping Ding, Yiyuan Peng,* and Jie Wu*
Structure      13C NMR   碳谱模拟图

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35 .     5-Methyl-3-(3-phenyl-1H-isochromen-1-yl)-1H-indole
C24H19NO     相似度:68.1%
Heterocycles          2011          82          1239-1249
Generation of 3-(1H-Isochromen-1-yl)-1H-indole via Silver Triflate-Catalyzed Tandem Reaction of 2-Alkynylbenzaldehyde with Indole
Banlai Ouyang, Jianjun Yuan, Qin Yang, Qiuping Ding, Yiyuan Peng,* and Jie Wu*
Structure      13C NMR   碳谱模拟图

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36 .     5-Methyl-3-(6-methyl-3-phenyl-1H-isochromen-1-yl)-1H-indole
C25H21NO     相似度:68.1%
Heterocycles          2011          82          1239-1249
Generation of 3-(1H-Isochromen-1-yl)-1H-indole via Silver Triflate-Catalyzed Tandem Reaction of 2-Alkynylbenzaldehyde with Indole
Banlai Ouyang, Jianjun Yuan, Qin Yang, Qiuping Ding, Yiyuan Peng,* and Jie Wu*
Structure      13C NMR   碳谱模拟图

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37 .     2-[4-(1-Naphthoxymethyl)-3-methylfuran-2-yl]thiophene
C20H16O2S     相似度:68.1%
Tetrahedron          2012          68          1566-1580
Synthesis of 3-methyl- and 3,4-dimethylfurans using alkoxide, thiolate, and phenoxide-mediated cyclization of 4-oxahepta-1,6-diynes bearing sulfur and selenium functional groups
Nami Takahashi, Yuya Nagase, Genzoh Tanabe, Osamu Muraoka, Mitsuhiro Yoshimatsu
Structure      13C NMR   碳谱模拟图

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38 .     N-(2-chlorophenyl)-2-(1-(naphthalen-1-yl)-1H-imidazol-2-ylthio)acetamide
C21H16ClN3OS     相似度:68.1%
Bioorganic & Medicinal Chemistry          2009          17          5775-5781
Synthesis and biological evaluation of imidazole thioacetanilides as novel non-nucleoside HIV-1 reverse transcriptase inhibitors
Peng Zhan, Xinyong Liu, Junjie Zhu, Zengjun Fang, Zhenyu Li, Christophe Pannecouque, Erik De Clercq
Structure      13C NMR   碳谱模拟图

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39 .     N-(tert-butoxycarbonyl)-(Z)-β-(dibenzothien-4-yl)dehydrophenylalanine
C27H25NO4S     相似度:68.1%
Bioorganic & Medicinal Chemistry          2008          16          5584-5589
Synthesis of new heteroaryl and heteroannulated indoles from dehydrophenylalanines: Antitumor evaluation
Maria-João R.P. Queiroz, Ana S. Abreu, M. Solange D. Carvalho, Paula M.T. Ferreira, Nair Nazareth, M. São-José Nascimento
Structure      13C NMR   碳谱模拟图

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40 .     compound 27
C24H17NO     相似度:68.1%
Tetrahedron          2012          68          3357-3360
Ring closing and opening reactions leading to aza-polycyclic aromatic compounds
Anila Kethe, Ang Li, Douglas A. Klumpp
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

41 .     compound 3a
C25H12OS3     相似度:68%
Tetrahedron Letters          2002          43          8669-8672
Novel intramolecular photocyclization of tris(2-benzothienyl)methyl alcohol
Naoki Tanifuji, Honghua Huang, Yoko Shinagawa, Keiji Kobayashi
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

42 .     N-[4-(Aminosulfonyl)-2-methylphenyl]-2-[1-(3-chloro-5-bromobenzoyl)-2-naphenoxy]acetamide
C26H20BrN2O5S     相似度:68%
Bioorganic & Medicinal Chemistry          2011          19          4601-4607
Synthesis and biological activity of naphthyl-substituted (B-ring) benzophenone derivatives as novel non-nucleoside HIV-1 reverse transcriptase inhibitors
Xiao-Dong Ma, Xuan Zhang, Hui-Fang Dai, Shi-Qiong Yang, Liu-Meng Yang, Shuang-Xi Gu, Yong-Tang Zheng, Qiu-Qin He, Fen-Er Chen
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

43 .     (±)-N-[4-(Aminosulfonyl)-2-methylphenyl]-2-{4-chloro-2-[hydroxyl(1-naphyl phenyl)methyl]phenoxyl}acetamide
C26H23ClN2O5S     相似度:66.6%
Bioorganic & Medicinal Chemistry          2011          19          4704-4709
Synthesis and biological evaluation of (±)-benzhydrol derivatives as potent non-nucleoside HIV-1 reverse transcriptase inhibitors
Xiao-Dong Ma, Xuan Zhang, Shi-Qiong Yang, Hui-Fang Dai, Liu-Meng Yang, Shuang-Xi Gu, Yong-Tang Zheng, Qiu-Qin He, Fen-Er Chen
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

44 .     compound (e)-1d
    相似度:66.6%
Heterocycles          2010          82          603-617
Diastereoselective Cyclization Reactions of Chiral Proline Auxiliary-Substituted N-Benzoyl-α-dehydro(1-naphthyl)alaninamide Derivatives via Photoinduced Electron Transfer
Yuhki Sato, Yuhta Haruyama, Tetsutaro Igarashi, and Tadamitsu Sakurai
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

45 .     N-[3-Benzoyl-4-[(4-methylphenyl)acetylamino]phenyl]-1-naphthoic Acid Amide
C33H26N2O3     相似度:66.6%
Archiv der Pharmazie          2001          334          40-44
Non-Thiol Farnesyltransferase Inhibitors: Structure-Activity Relationships of Aralkylsubsituted Benzophenones
Andreas Mitsch, Pia Wißner, Isabel Sattler and Martin Schlitzer
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

46 .     3-chloro-N-(6-{[(4-chloroanilino)carbonyl]amino}-2-methylquinolin-4-yl)benzamide
C24H18Cl2N4O2     相似度:66.6%
Bioorganic & Medicinal Chemistry          2009          17          203-221
Search for new pharmacophores for antimalarial activity. Part I: Synthesis and antimalarial activity of new 2-methyl-6-ureido-4-quinolinamides
S. Madapa, Z. Tusi, D. Sridhar, A. Kumar, M.I. Siddiqi, K. Srivastava, A. Rizvi, R. Tripathi, S.K. Puri, G.B. Shiva Keshava, P.K. Shukla, S. Batra
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

47 .     N-[4-(Aminosulfonyl)-2-methylphenyl]-2-[1-(3-methylbenzoyl)-2-naphenoxy]acetamide
C27H24N2O5S     相似度:66.6%
Bioorganic & Medicinal Chemistry          2011          19          4601-4607
Synthesis and biological activity of naphthyl-substituted (B-ring) benzophenone derivatives as novel non-nucleoside HIV-1 reverse transcriptase inhibitors
Xiao-Dong Ma, Xuan Zhang, Hui-Fang Dai, Shi-Qiong Yang, Liu-Meng Yang, Shuang-Xi Gu, Yong-Tang Zheng, Qiu-Qin He, Fen-Er Chen
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

48 .     6,8-dichloro-3-[benzimidazo(1,2-c)quinazolin-5-yl]-2H-chromene-2-one
C23H11Cl2N3O2     相似度:65.2%
Bioorganic & Medicinal Chemistry Letters          2011          21          524-527
3-[Benzimidazo-and 3-[benzothiadiazoleimidazo-(1,2-c)quinazolin-5-yl]-2H-chromene-2-ones as potent antimicrobial agents
B. Suresh Kuarm, Y. Thirupathi Reddy, J. Venu Madhav, Peter A. Crooks, B. Rajitha
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

49 .     Dimethyl 5-[Methyl(phenyl)amino]-3-(naphthalen-2-yl)furan-2,2(5H)-dicarboxylate
    相似度:65.2%
Helvetica Chimica Acta          2011          94          1115-1129
Synthesis of the Naphthalenone, Dihydroquinoline, and Dihydrofuran Derivatives
Füsun Şeyma Güngçr, Olcay Anaç, and Özkan Sezer
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

50 .     3-(4-bromophenyl)-8-methoxy-1-phenyl-5,6,7,8-tetrahydro-1H-benzo[h]pyrazolo[3,4-b]quinoline
C27H20BrN3O     相似度:65.2%
Journal of Heterocyclic Chemistry          2006          43          1169-1175
A convenient route for the synthesis of pyrazolo[3,4-d]pyrimidine,pyrazolo[3,4-b][1,6]naphthyridine and pyrazolo[3,4-b]quinoline derivatives
Madhukar N. Jachak,Appasaheb B. Avhale,Vijay J. Medhane and Raghunath B. Toche
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

51 .     1-phenylsulfonyl-2-phenyl-N-((3-(phenylthio)-1H-indol-2-yl)methyl)acetamide
C29H24N2O3S2     相似度:65.2%
Indian Journal of Chemistry          2010          49B          327-334
Lewis-acid mediated acetamidation of N-pro­tected bromomethylindoles
Vasudevan Dhayalan & Arasambattu K Mohanakrishnan*
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

52 .     5-Methyl-3-(3-p-tolyl-1H-isochromen-1-yl)-1H-indole
C25H21NO     相似度:65.2%
Heterocycles          2011          82          1239-1249
Generation of 3-(1H-Isochromen-1-yl)-1H-indole via Silver Triflate-Catalyzed Tandem Reaction of 2-Alkynylbenzaldehyde with Indole
Banlai Ouyang, Jianjun Yuan, Qin Yang, Qiuping Ding, Yiyuan Peng,* and Jie Wu*
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

53 .     6-methyl-12-hydroxy-13-93,3-dimethyl-3-silabutyn-1-yl0-6-azaindeno[1,2-b]phenanthrene
C26H25NOSi     相似度:65.2%
Heterocycles          2001          54          887-900
Synthesis of Indeno[1,2-b]phenanthrene-Type Heterocycles by Cyclo- aromatization of Acyclic Non-conjugated Benzotetraynes
Kazuhiro Miyawaki, Fukuko Ueno, and Ikuo Ueda
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

54 .     compound 6g
    相似度:64%
Journal of Heterocyclic Chemistry          2009          46          1203-1207
Efficient synthesis of pyrrolo[2,1-a]isoquinoline and pyrrolo[1,2-a]quinoline derivatives in aqueous media
Ebrahim Kianmehr,Hamid Estiri and Azadeh Bahreman
Structure      13C NMR   碳谱模拟图
10楼2012-05-14 07:42:34
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普通回帖

fly-higher

金虫 (小有名气)

【答案】应助回帖

感谢参与,应助指数 +1
你太看得起小木虫的人了,一个碳谱想解决问题,很难哦!!

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糊涂
2楼2012-05-13 20:57:57
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caizhengjun

木虫 (著名写手)

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感谢参与,应助指数 +1
karl2100: 金币+1, 谢谢! 2012-05-14 00:01:36
楼主应该说说物质性质特征,或者其它谱图信息。
但一定要相信小木虫哦

» 本帖已获得的红花(最新10朵)

既然选择走上科研道路,就要学会坚强!
4楼2012-05-13 22:12:39
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caizhengjun

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leecius: 金币+1, 谢谢! 2012-05-14 09:03:45
从碳的化学位移基本都是芳氢看,这个化合物很可能是两分子蒽酮通过C10-C10’连接的二蒽酮类化合物,其中一分子上连有-CH2OH(化学位移52.39),另一分子连有-COOH。总碳数应该还要多。

» 本帖已获得的红花(最新10朵)

既然选择走上科研道路,就要学会坚强!
5楼2012-05-13 22:26:02
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wei537113

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送鲜花一朵
引用回帖:
4楼: Originally posted by caizhengjun at 2012-05-13 22:12:39:
楼主应该说说物质性质特征,或者其它谱图信息。
但一定要相信小木虫哦

好吧,这个谱解了一天 还是没解出来,老师说有四个苯环以上,H谱都是低场,两个活泼H,有好多个H,不知道这个能不能附图,如果能地话,一会我发H谱上来
7楼2012-05-14 00:11:14
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wei537113

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送鲜花一朵
引用回帖:
5楼: Originally posted by caizhengjun at 2012-05-13 22:26:02:
从碳的化学位移基本都是芳氢看,这个化合物很可能是两分子蒽酮通过C10-C10’连接的二蒽酮类化合物,其中一分子上连有-CH2OH(化学位移52.39),另一分子连有-COOH。总碳数应该还要多。

是的哦 ,有很多的C是重和的,加起来有二十多个C
8楼2012-05-14 00:12:04
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wei537113

铜虫 (小有名气)

引用回帖:
5楼: Originally posted by caizhengjun at 2012-05-13 22:26:02:
从碳的化学位移基本都是芳氢看,这个化合物很可能是两分子蒽酮通过C10-C10’连接的二蒽酮类化合物,其中一分子上连有-CH2OH(化学位移52.39),另一分子连有-COOH。总碳数应该还要多。

我补充一下C谱的信息:从C谱上看,有两个羰基C(δ 168.81, 166.97)l另根据高度比例有可能有些地方两个C:(128.80)(127.75)(127.20)(127.003),具体是不是两个,不大确定
9楼2012-05-14 00:45:16
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