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向文非

至尊木虫 (著名写手)

[求助] t9a 求助一微谱数据 谢谢

24.60,27.72,30.92,31.79,35.76,45.97,81.17,121.30,122.86,141.19,142.75,172.40
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1楼2013-09-30 13:43:00
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wangkaibo123

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kerry

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【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与，应助指数 +1
karl2100: 金币+1, 3Q 2013-10-02 17:05:24
向文非: 金币+10 2013-10-09 22:41:19
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

溶剂选项：
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109个化合物(查询结果仅供参考)
1 .     N-Isobutyl-9-hydroxy-2E,4E-nonadienamide
C13H23NO2     相似度:58.3%
Molecules          2012          17          1425-1436
Total Synthesis and Antidepressant Activities of Laetispicine and Its Derivatives
Shuyi Yao,Hui Xie, Li Zhang,Tao Meng, Yongliang Zhang, Xin Wang, Lin Chen,Shengli Pan and Jingkang Shen
Structure      13C NMR   碳谱模拟图
2 .     (tBuO)4-NH2
C40H73N3O10     相似度:58.3%
European Journal of Organic Chemistry          2010                   111-119
A Versatile, Modular Platform for Multivalent Peptide Ligands Based on a Dendritic Wedge
Edith H. M. Lempens, Brett A. Helms, Andrea R. Bayles, Maarten Merkx and E. W. Meijer
Structure      13C NMR   碳谱模拟图
3 .     compound 8a
    相似度:57.1%
Tetrahedron Letters          2005          46          8711-8714
2-Nitrofurans as dienophiles in Diels-Alder reactions
Claudia Della Rosa, María N. Kneeteman, Pedro M.E. Mancini
Structure      13C NMR   碳谱模拟图
4 .     3-[3,5-Dibromo-4-(9-bromo-2,8-dioxo-1-oxaspiro[4.5]-deca-6,9-dien-7-yloxy)phenyl]propionic acid
C18H13Br2BrO6     相似度:56.2%
Archiv der Pharmazie          2008          341          568-577
Structure-Activity Relationships Study of Bastadin 6,an Anti-Angiogenic Brominated-Tyrosine Derived Metabolite from Marine Sponge
Naoyuki Kotoku, Atsushi Hiramatsu, Hiroaki Tsujita, Yoichi Hirakawa, Mami Sanagawa, Shunji Aoki and Motomasa Kobayashi
Structure      13C NMR   碳谱模拟图
5 .     Isohexyl dihydrocaffeate
    相似度:53.8%
Phytochemistry          1994          37          1101-1107
Sesquiterpene lactones, lignans and aromatic esters from Cheirolophus species
J.Alberto Marco, Juan F. Sanz-Cervera, Vicente Garcia-Lliso, Alfonso Susanna, Nuria Garcia-Jacas
Structure      13C NMR   碳谱模拟图
6 .     (2S)-2-Cyano-pyrrolidine-1-carboxylic acid tert-butyl ester
C10H16O2N2     相似度:53.8%
Canadian Journal of Chemistry          2007          85          85-95
Modular syntheses of oxazolinylamine ligands and characterization of group 10 metal complexes
Christine A. Caputo, Florentino d.S. Carneiro, Michael C. Jennings, and Nathan D. Jones
Structure      13C NMR   碳谱模拟图
7 .     methyl 2-[(1R,2R)-2-hydroxy-1,5,5-trimethyl-6-methylenecyclohexyl]acetate
C13H22O3     相似度:53.8%
Indian Journal of Chemistry          2008          47B          449-459
Enantiospecific synthesis of thaps-8-en-5-ol via stereospecific
Srikrishna,A; Anebouselvy,K
Structure      13C NMR   碳谱模拟图
8 .     ( +)-Erythro-N-isobutyl-4, 5-dihydroxy-2 (E)-decenamide
    相似度:53.8%
Phytochemistry          1983          22          1028-1030
Total synthesis of sylvamide, A Piper alkamide
Avijit Banerji, Sudhir C. Pal
Structure      13C NMR   碳谱模拟图
9 .     N,N'-α,α '-di-tert-Boc-(3,3'(1,3-phenylene)diprop-2-yn-1-amide)-amino hexanoic acid
C32H42N4O6     相似度:53.8%
Bioorganic & Medicinal Chemistry          2008          16          3744-3758
Synthesis and evaluation of homodimeric GnRHR antagonists having a rigid bis-propargylated benzene core
Kimberly M. Bonger, Richard J.B.H.N. van den Berg, Annemiek D. Knijnenburg, Laura H. Heitman, Ad P. IJzerman, Julia Oosterom, Cornelis M. Timmers, Herman S. Overkleeft, Gijsbert A. van der Marel
Structure      13C NMR   碳谱模拟图
10 .     3,6-bis(6-chlorohexanamido)acridone
C25H29N3O3     相似度:53.8%
Journal of Medicinal Chemistry          2006          49          582-599
Trisubstituted Acridines as G-quadruplex Telomere Targeting Agents. Effects of Extensions of the 3,6- and 9-Side Chains on Quadruplex Binding, Telomerase Activity, and Cell Proliferation
Michael J. B. Moore, Christoph M. Schultes, Javier Cuesta, Francisco Cuenca, Mekala Gunaratnam, Farial A. Tanious, W. David Wilson, and Stephen Neidle
Structure      13C NMR   碳谱模拟图
11 .     8-tert-butyl-3-isopropyl-1,4-dioxaspiro[4.5]decan-2-one
    相似度:53.8%
Indian Journal of Chemistry          2012          51B          323-327
Iodine catalyzed protection of -hydroxy acids and its application for the synthesis of -hydroxy lactone
Sharma, Chinta Mani; Kashyap, Bishwapran; Phukan, Prodeep
Structure      13C NMR   碳谱模拟图
12 .     di-tert-butyl(5'-(tert-butyl)-[1,1':3',1''-terphenyl]-3,3''-diyl)dicarbamate
C32H40N2O4     相似度:53.8%
Tetrahedron          2012          68          6071-6078
Synthesis, structure, and conformation of terphenylene-derived azacalix[4]aromatics
Wen-Jing Hu, Ming-Liang Ma, Xiao-Li Zhao, Fang Guo, Xian-Qiang Mi, Biao Jiang, Ke Wen
Structure      13C NMR   碳谱模拟图
13 .     compound 2l
C30H34N2O6     相似度:53.8%
Tetrahedron          2012          68          6914-6919
Visible light induced intermolecular [2+2]-cycloaddition reactions of 3-ylideneoxindoles through energy transfer pathway
You-Quan Zou, Shu-Wen Duan, Xiang-Gao Meng, Xiao-Qiang Hu, Shuang Gao, Jia-Rong Chen, Wen-Jing Xiao
Structure      13C NMR   碳谱模拟图
14 .     compound 10
    相似度:53.8%
Australian Journal of Chemistry          1989          42          2071-2084
Norisoprenoids in Vitis vinifera White Wine Grapes and the Identification of a Precursor of Damascenone in These Fruits
MA Sefton, GK Skouroumounis, RA Massywestropp and PJ Williams
Structure      13C NMR   碳谱模拟图
15 .     (R)-6-(2,3-dihydroxy-3-methylbutyl)indolin-2-one
C13H17NO3     相似度:53.8%
Magnetic Resonance in Chemistry          2013          51          188-191
Structure elucidation of four prenylindole derivatives from Streptomyces sp. isolated from Ailuropoda melanoleuca feces
Dan Zheng, Li Han, Yi Jiang, Yan-Ru Cao, Jiang Liu, Xiu Chen, Yi-Qing Li and Xue-Shi Huang
Structure      13C NMR   碳谱模拟图
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Domyallbesttohaveahappylife.
2楼2013-09-30 14:49:19
 已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

wangkaibo123

荣誉版主 (职业作家)

kerry

优秀版主
新的不少啊
回复此楼
Domyallbesttohaveahappylife.
3楼2013-09-30 14:49:42
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向文非

至尊木虫 (著名写手)
引用回帖:
3楼: Originally posted by wangkaibo123 at 2013-09-30 14:49:42
新的不少啊

   这么低  谢谢
回复此楼
4楼2013-09-30 14:51:14
 已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

wangkaibo123

荣誉版主 (职业作家)

kerry

优秀版主
引用回帖:
4楼: Originally posted by 向文非 at 2013-09-30 14:51:14
   这么低  谢谢...

是啊  呵呵
回复此楼
Domyallbesttohaveahappylife.
5楼2013-09-30 15:04:52
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向文非

至尊木虫 (著名写手)
引用回帖:
5楼: Originally posted by wangkaibo123 at 2013-09-30 15:04:52
是啊  呵呵...

24.60,27.72,30.92,31.79,45.97,81.17,121.30,122.86,141.19,142.75,172.40你好  我删了一个数据  你可不可以重新帮我查下  谢谢
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6楼2013-12-31 10:35:53
 已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

wangkaibo123

荣誉版主 (职业作家)

kerry

优秀版主
引用回帖:
6楼: Originally posted by 向文非 at 2013-12-31 10:35:53
24.60,27.72,30.92,31.79,45.97,81.17,121.30,122.86,141.19,142.75,172.40你好  我删了一个数据  你可不可以重新帮我查下  谢谢...

可以毕业了吧？
回复此楼
Domyallbesttohaveahappylife.
7楼2013-12-31 10:45:59
 已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

wangkaibo123

荣誉版主 (职业作家)

kerry

优秀版主
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

溶剂选项：
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45个化合物(查询结果仅供参考)
1 .     N-Isobutyl-9-hydroxy-2E,4E-nonadienamide
C13H23NO2     相似度:58.3%
Molecules          2012          17          1425-1436
Total Synthesis and Antidepressant Activities of Laetispicine and Its Derivatives
Shuyi Yao,Hui Xie, Li Zhang,Tao Meng, Yongliang Zhang, Xin Wang, Lin Chen,Shengli Pan and Jingkang Shen
Structure      13C NMR   碳谱模拟图
2 .     (E)-1-(3-cyclohexenyl)-3-penten-2-one
    相似度:54.5%
Helvetica Chimica Acta          1981          64          2193-2202
Fragmentation of Homoallylic Alkoxides. Thermolysis of potassium 2-substituted bicyclo [2.2.2]oct-5-en-2-alkoxides
Roger L. Snowden, Karl H. Schulte-Elte
Structure      13C NMR   碳谱模拟图
3 .     2,2,4-Trimethyl-2,3-dihydro-1H-benzo[1,4]diazepine
C12H16N2     相似度:54.5%
Molecules          2008          13          2313-2325
Efficient TCT-catalyzed Synthesis of 1, 5-Benzodiazepine Derivatives under Mild Conditions
Chun-Wei Kuo, Chun-Chao Wang, Veerababurao Kavala and Ching-Fa Yao
Structure      13C NMR   碳谱模拟图
4 .     5,5'-(2-pyrilidene)bis(1,3-dimethylbarbituric acid)
C18H19N5O6     相似度:54.5%
Organic letters          2002          4          811-813
Barbituric Acid Initiated Rearrangement of 2,2'-Pyridil into 5,5'-(2-pyrilidine)bisbarbituric Acid
Branko S. Jursic, Donna M. Neumann, Kenneth L. Martin, and Edwin D. Stevens
Structure      13C NMR   碳谱模拟图
5 .     2,2,4-trimethyl-2,3-dihydro-1H-1,5-benzodiazepine
    相似度:54.5%
Indian Journal of Chemistry Section B          2006          45B          2716-2719
An expeditious synthesis of 1,5-benzodiazepine derivatives catalyzed by CdCl2
Pasha,M A; Jayashankara,V P
Structure      13C NMR   碳谱模拟图
6 .     (3-ethylcyclohex-2-enyl)acetic acid methyl Ester
    相似度:54.5%
Heterocycles          2006          68          71-92
Tandem Radical Cyclization Reactions, Initiated at Nitrogen, as an Approach to the CDE-Tricyclic Cores of Certain Post-secodine Alkaloids
Martin G. Banwell* and David W. Lupton
Structure      13C NMR   碳谱模拟图
7 .     2,2,4-trimethyl-2,3-dihydro-1H-1,5-benzodiazepine
C12H15N2     相似度:54.5%
Heterocycles          2006          68          1017-1023
Synthesis of 1,5-Benzodiazepine Derivatives Catalysed by Zinc Chloride
Mohamed Afzal Pasha* and Vaderapura Puttaramegowda Jayashankara
Structure      13C NMR   碳谱模拟图
8 .     (±)-cis-2-[(5-Amino-6-chloro-4-pyrimidinyl)amino]-N-methylcyclopentanecarboxamide
C11H16ClN5O     相似度:54.5%
Bioorganic & Medicinal Chemistry          2008          16          1658-1675
New QSAR combined strategy for the design of A1 adenosine receptor agonists
Maykel Pérez González, Pedro Besada, Maria José González Moa, Marta Teijeira, Carmen Terán
Structure      13C NMR   碳谱模拟图
9 .     Methyl[(2S,2'S,5R)-5'-hydroxyoctahydro-2,2'-bifuran-5-yl]acetate
    相似度:54.5%
Pharmazie          2002          57          34-40
Synthesis and biological activity of chiral tetrahydrofuranyl amino acids as building moieties of pamamycin analogues
E. Krüger-Velthusen - P. Jütten - P.A. Grigoriev - U. Gräfe
Structure      13C NMR   碳谱模拟图
10 .     tert-Butyl (S)-(-)-3-(1-trifluoroacetylpyrrolidin-2-yl)propenoate
C13H18F3NO3     相似度:54.5%
Journal of the Chemical Society, Perkin Transactions 1          2001                   3325-3337
Rearrangement of ammonium ylides produced by intramolecular reaction of catalytically generated metal carbenoids. Part 2. Stereoselective synthesis of bicyclic amines
J. Stephen Clark, Paul B. Hodgson, Michael D. Goldsmith, Alexander J. Blake, Paul A. Cooke and Leslie J. Street
Structure      13C NMR   碳谱模拟图
11 .     tert-Butyl (S)-(-)-3-(1-trifluoroacetylpyrrolidin-2-yl)propanoate
C13H21F3NO3     相似度:54.5%
Journal of the Chemical Society, Perkin Transactions 1          2001                   3325-3337
Rearrangement of ammonium ylides produced by intramolecular reaction of catalytically generated metal carbenoids. Part 2. Stereoselective synthesis of bicyclic amines
J. Stephen Clark, Paul B. Hodgson, Michael D. Goldsmith, Alexander J. Blake, Paul A. Cooke and Leslie J. Street
Structure      13C NMR   碳谱模拟图
12 .     2,3,4,5,10,11,12,13-octahydro-1H,9H-azepino[1,2-a]azepino[ 1',2':1,2]imidazo[5,4-f]benzimidazol-7,15-dione
C18H20N4O2     相似度:54.5%
Bioorganic & Medicinal Chemistry          2012          20          3223-3232
COMPARE analysis of the toxicity of an iminoquinone derivative of the imidazo[5,4-f]benzimidazoles with NAD(P)H:quinone oxidoreductase 1 (NQO1) activity and computational docking of quinones as NQO1 substrates
Vincent Fagan, Sarah Bonham, Michael P. Carty, Patricia Saenz-Méndez, Leif A. Eriksson, Fawaz Aldabbagh
Structure      13C NMR   碳谱模拟图
13 .     4-decadienoic acid
    相似度:54.5%
The Journal of Antibiotics          1980          33          967-978
PAPULACANDINS, A NEW FAMILY OF ANTIBIOTICS WITH ANTIFUNGAL ACTIVITY STRUCTURES OF PAPULACANDINS A, B, C AND D
PETER TRAXLER, HANS FRITZ, HERMANN FUHRER, WILHELM J. RICHTER
Structure      13C NMR   碳谱模拟图
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Domyallbesttohaveahappylife.
8楼2013-12-31 10:46:42
 已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

向文非

至尊木虫 (著名写手)
引用回帖:
7楼: Originally posted by wangkaibo123 at 2013-12-31 10:45:59
可以毕业了吧？...

呃  毕个业要求又不高  自己做的也烂
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9楼2013-12-31 11:12:44
 已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

向文非

至尊木虫 (著名写手)
引用回帖:
8楼: Originally posted by wangkaibo123 at 2013-12-31 10:46:42
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

溶剂选项：
匹配容差： (数字格式，可自行设定)
相似 ...

呃   还是这么低
回复此楼
10楼2013-12-31 11:13:00
 已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖
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