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[求助]
求助化合物微谱数据查询
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第一个化合物：氘代氯仿 18.2,23.6,37.6,39.9,40.6,42.2,125.2,126.0,127.9,133.4,139.5,141.0 第二个化合物：氘代氯仿 14.3,16.5,19.9,22.8,22.9,24.7,25.0,25.2,28.2,29.4,29.5,29.6,29.7,29.8,29.9,32.2,32.9,33.0,34.6,36.8,37.6,37.7,39.6,40.0,61.3,118.5,142.5,173.8 谢谢 |
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jasminelw
铁杆木虫 (正式写手)
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【答案】应助回帖
★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与，应助指数 +1
karl2100: 金币+1, 谢谢！ 2013-05-05 09:29:07
D201002038: 金币+15, ★★★★★最佳答案 2013-05-05 21:18:37
感谢参与，应助指数 +1
karl2100: 金币+1, 谢谢！ 2013-05-05 09:29:07
D201002038: 金币+15, ★★★★★最佳答案 2013-05-05 21:18:37
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第一个化合物微谱数据： 查询结果：共查到3422个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . Humulene 相似度:85.7% Zeitschrift für Naturforschung B 2012 67 426-432 A New Triterpene from Atalantia retusa Merr. Consolacion Y. Ragasa, Dinah L. Espineli, Emelina H. Mandia, Dennis D. Raga, Ming-Jaw Don, and Chien-Chang Shen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . Humulene 相似度:80% Phytochemistry 1980 19 2643-2650 Cytotoxic components of Zingiber zerumbet, Curcuma zedoaria and C. domestica H.W.D. Matthes, B. Luu, G. Ourisson Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . N-mesyl-2-(2-bromo-1-cyclopenten-1-yl)aniline C12H14BrNO2S 相似度:75% Russian Journal of Organic Chemistry 2005 41 715-722 Reactions of N-and C-Alkenylanilines: VII. Synthesis of Indole Heterocycles from Products of Reaction between N-Mesyl-2-(1-alken-1-yl)anilines and Halogens R. R. Gataullin, A. M. Sotnikov, L. V. Spirikhin and I. B. Abdrakhmanov Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . compound 5b 相似度:71.4% Bioorganic & Medicinal Chemistry 1993 1 309-325 Conformationally constrained calcium channel blockers: Novel mimics of 1-benzazepin-2-ones Joel C. Barrish, Steven H. Spergel, Suzanne Moreland, Gary Grover, S.Anders Hedberg, Andrew T. Pudzianowski, Jack Z. Gougoutas, Mary F. Malley Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . Compound 8 相似度:69.2% Bioorganic & Medicinal Chemistry Letters 2000 10 1551-1553 Synthesis of thiophenyl substituted cyclohexa-2,4-dien-1-one and its photocleavage coupling reaction with amines Tae Woo Kwon, Young Mee Kim, Suk Jin Song, Yong Uk Kwon, Sung Kee Chung Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . {[(2,6,6-Trimethyl-1-cyclohexen-1-yl)methyl]sulfonyl}benzene 相似度:69.2% Archiv der Pharmazie 2007 340 625-634 Synthesis,Antimicrobial and Antineoplastic Activities for Agelasine and Agelasimine Analogs with a β-Cyclocitral Derived Substituent Ágnes Proszenyák, Colin Charnock, Erik Hedner, Rolf Larsson, Lars Bohlin and Lise-Lotte Gundersen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . (1S,4R)-4-isopropyl-1-methyl-1,2,3,4-tetrahydroisoquinoline C13H19N 相似度:69.2% Heterocycles 2002 58 431-447 Aryl Radical Cyclization of Chiral 3-Allyl-2-(2-bromophenyl)-1,3-oxazolidines with Tributyltin Hydride Takayasu Yamauchi, Jumpei Sugiyama, and Kimio Higashiyama* Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . phenyl syn-7-phenylbicyclo[3.1.1]hept-endo-6-yl sulfone 相似度:69.2% Russian Journal of Organic Chemistry 2008 44 325-330 Stereoselective synthesis of substituted bicyclo[3.1.1]heptanes: II.* Synthesis of all diastereoisomers of 7-methyl-and 7-phenylbicyclo[3.1.1]hept-6-yl phenyl sulfones from tricyclo[4.1.0.02,7]heptane precursors V. A. Vasin, S. G. Kostryukov, S. Yu. Vovod, P. S. Petrov and F. A. Kryuchkov, et al. Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . N-methanesulfonyl-2-methyl-6-(2-oxocyclopent-1-yl)aniline oxime C13H18N2O3S 相似度:69.2% Russian Journal of Organic Chemistry 2007 43 723-728 Synthesis of derivatives of o-aminoacetophenone and o-aminobenzyl alcohol R. R. Gataullin and I. B. Abdrakhmanov Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . compound XVI C15H18INO2 相似度:69.2% Russian Journal of Organic Chemistry 2001 37 1289-1296 Reactions of N- and C-Alkenylanilines: II. Halocyclization of 2-(2-Cycloalkenyl)anilines R. R. Gataullin, F. F. Minnigulov, A. A. Fatykhov, L. V. Spirikhin and I. B. Abdrakhmanov Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . allyl [3-(acetylamino)-2-(2-thienyl)propyl]carbamate C13H18N2O3S 相似度:69.2% European Journal of Organic Chemistry 2010 484-493 Synthesis of Optically Active Heterocyclic Compounds by Preparation of 1,3-Dinitro Derivatives and Enzymatic Enantioselective Desymmetrization of Prochiral Diamines Nicolás Ríos-Lombardía, Eduardo Busto, Vicente Gotor-Fernández and Vicente Gotor Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . compound 14 相似度:69.2% Organic Magnetic Resonance 1983 21 487-490 13C NMR spectra of 2,3-dihydro-1H-benzoazepines: Differentiation of diastereomers Ph. Uriac and J. Huet Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . humulα-1(10),4,7-trien-6α-ol C15H24O 相似度:66.6% Phytochemistry 2002 59 39-44 Microbial metabolism of partheniol by Mucor circinelloides Galal T. Maatooq Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . 8-chloro-2,6-dimethyl-2,6-octadien-4-ol 相似度:66.6% Journal of Natural Products 1998 61 1143-1145 Synthesis of Geranyl Phenyl Ethers Based on the Cytotoxic Monoterpenoids from the Liverwort Genus Trichocolea Seung-Hwa Baek, Nigel B. Perry, and Rex T. Weavers Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . (2S)-2-Methyl-3-[2H3]methyl[4-2H3]butyl phenylsulfide C12H12D6S 相似度:66.6% Steroids 2002 67 1101-1108 Synthesis of hexadeuterated 23-dehydroxybrassinosteroids Vladimir A. Khripach, Vladimir N. Zhabinskii, Andrey P. Antonchick, Olga V. Konstantinova, Bernd Schneider Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . 5-N,N-dimethylaminosulfonyl-8-methylsulfonyloxyquinaldine C13H16N2O5S2 相似度:66.6% Chemical & Pharmaceutical Bulletin 2009 57 1257-1266 Photochemical Cleavage Reactions of 8-Quinolinyl Sulfonates in Aqueous Solution Yoshiyuki Kageyama, Ryosuke Ohshima, Kazusa Sakurama, Yoshihisa Fujiwara, Yoshifumi Tanimoto, Yasuyuki Yamada and Shin Aoki Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . 4-(4-chlorophenylmethanesulfonyl)-3-phenylbutane-hydrazide 相似度:66.6% Journal of Heterocyclic Chemistry 2008 45 1633-1639 Michael adducts of vinyl sulfones — source for thiadiazoles,oxadiazoles and triazoles Venkatapuram Padmavathi,Guda Dinneswara Reddy and Gali Sudhakar Reddy Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . S-((E)-Prop-1-enyl)-S-phenyl-N-(p-tolylsulfonyl)sulfoximide C16H17NO3S2 相似度:66.6% Journal of Heterocyclic Chemistry 2005 42 599-607 An efficient preparation of β-dimethylaminovinyl sulfone and sulfoximide,and investigation of their reactivity as dipolarophiles Nela Peša,Chris J. Welch and Andrew N. Boa Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . 1-[1,2,4]triazolo[3,4-a]phthalazin-3-yl-ethylaminep-toluenesulphonatesalt 相似度:66.6% Journal of Heterocyclic Chemistry 2004 41 387-392 Coupling reactions of hydralazine with amino acids and their adducts for antihypertensive activities Sherine N. Khattab,Abdel Moneim M. El Massry,Ayman El-Faham,Adel Amer and Adnan A. Bekhit Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . (1S*,5S*,6R*,7R)-1-hydroxy-7-nitro-6-phenylbicyclo[3.2.1]octan-8-one C14H15NO4 相似度:66.6% Journal of Heterocyclic Chemistry 2010 47 664-670 Application of 1,3-azomethine ylides derived from -dicarbonyl compounds and L-proline to the synthesis of pyrrolizidines Fulvia Felluga, Cristina Forzato, Patrizia Nitti, Giuliana Pitacco, Ennio Valentin and Ennio Zangrando Structure 13C NMR 碳谱模拟图 第二个化合物微谱数据： 查询结果：共查到3716个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . 5-hexadecynoic acid 相似度:81.2% Bioorganic & Medicinal Chemistry 2010 18 7475-7485 2-Hexadecynoic acid inhibits plasmodial FAS-II enzymes and arrests erythrocytic and liver stage Plasmodium infections Deniz Tasdemir, David Sanabria, Ina L. Lauinger, Alice Tarun, Rob Herman, Remo Perozzo, Mire Zloh, Stefan H. Kappe, Reto Brun, Néstor M. Carballeira Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . 6-hexadecynoic acid 相似度:81.2% Bioorganic & Medicinal Chemistry 2010 18 7475-7485 2-Hexadecynoic acid inhibits plasmodial FAS-II enzymes and arrests erythrocytic and liver stage Plasmodium infections Deniz Tasdemir, David Sanabria, Ina L. Lauinger, Alice Tarun, Rob Herman, Remo Perozzo, Mire Zloh, Stefan H. Kappe, Reto Brun, Néstor M. Carballeira Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . hexadecanoic acid C16H32O2 相似度:80% Planta Medica 1987 53 117-118 Marine Natural Products; II. Chemical Constituents of Red Alga Botryocladia leptopoda Shaheen Bano, Viqar Uddin Ahmad, Shaista Perveen, Nasreen Bano, Shafiuddint and Mustafa Shameel Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . desmosic acid C33H42O19 相似度:80% Natural Product Research 1995 7 35-41 New Cytotoxic Fatty Acid from Desmos cochinchinensis (Annonaceae) Nan-Jun Sun; David K. Ho; X. Eric Hu; Jeffrey M. Sneddon; Ralph E. Stephens; John M. Cassady Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . palmitic acid 相似度:80% China Journal of Chinese Materia Medica 2004 29 52-54 Studies on the chemical constituents of Bombyx batryticatus YIN Zhiqi, YE Wencai, ZHAO Shou xun Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . hexadec-(4Z)-enoic acid C16H30O2 相似度:80% Journal of Natural Products 1993 Vol 56 456 Hydroxyalk-(4Z)-enoic Acids and Volatile Components from the Seeds of Zanthoxylum armatum Ateeque Ahmad, Laxmi N. Misra, Madan M. Gupta Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . (S)-5-Ethyl-8, 8-dimethyl nonanal C13H26O 相似度:80% Records of Natural Products 2009 3 204-208 Secondary Metabolites of Curvularia oryzae MTCC 2605 Siddhardha Busi, Prabhakar Peddikotla, Suryanarayana M. Upadyayula, Venkateswarlu Yenamandra Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . dotriacontanoic acid 相似度:80% Natural Product Sciences 2002 8 137-140 The Constituents of the Aerial Part of Gastrodia elata Blume Liu, Xiang Qian; Baek, Wan-Sook; Ahn, Duk-Kyun; Choi, Ho-Young; Yook, Chang-Soo Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . (Z)-4-Pentadecenoic acid 相似度:80% Bioorganic & Medicinal Chemistry 2011 19 567-579 Design, synthesis and antimycobacterial activities of 1-methyl-2-alkenyl-4(1H)-quinolones Abraham A. Wube, Antje Hüfner, Christina Thomaschitz, Martina Blunder, Manfred Kollroser,Rudolf Bauer, Franz Bucar Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . 8-hydroxyheptadecanoic acid 相似度:80% Indian Journal of Chemistry 2010 49B 1648-1652 Total synthesis of three natural products: Decyl 8-hydroxyheptadecanoate,undecyl hexadecanoate and 2,3-dihydroxypropyl hexadecanoate Ashima Singh,M L Sharma & Jasvinder Singh* Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . 十七烷酸 相似度:80% Chinese Traditional and Herbal Drugs 2009 40 1886-1888 黄水枝化学成分研究 张晓丹;刘向前;李丽丽;金钟焕 Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . 十六烷酸 相似度:80% Chinese Traditional and Herbal Drugs 2009 40 104-106 乌韭的化学成分研究(Ⅱ) 任冰如;夏冰;李维林;吴菊兰;张涵庆 Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . 正二十四烷酸 相似度:80% Chinese Traditional and Herbal Drugs 2008 39 1616-1619 生姜化学成分的研究 宣伟东;卞俊;袁兵;钱晓蓉;李文辉;熊智 Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . Heptadec-(9Z)-enoic acid 相似度:80% Archives of Pharmacal Research 2008 31 294-299 Melanogenesis inhibitory compounds from Saussureae Radix Ji Young Choi, Eun Hyang Choi, Hee Wook Jung, Joon Seok Oh and Won-Hee Lee, et al. Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . palmitic acid 相似度:80% Chinese Pharmaceutical Journal 2005 40 1296-1298 Studies on chemical constituents of Sarcandra glabra LUO Yong-ming, LIU Ai-hua, YU Bang-wei, KANG Li-jie, HUANG Lu-qi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . 1,3-Dimethyl-5-dodecyl-2-thioxo-4,6(1H,3H,5H)-pyrimidindion C18H32N2O2S 相似度:80% Zeitschrift für Naturforschung B 2002 57 215-225 Anodic Oxidation of 2-Thiobarbituric Acids under Formation of New Tetracyclic Dimers (In German) H. G. Thomas, M. Rasp, and G. Raabe Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . 3-(Tetradecylthio)propionic acid C17H34NaO2S 相似度:80% Zeitschrift für Naturforschung B 2007 62 1317-1323 An Improved and Green Preparation of 3-(Alkylthio)propionic Acids M. J. P. Vaismaa, S. M. Yliniemelä, and M. K. Lajunen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . n-Hexacosanoic acid 相似度:80% Bulletin of the Korean Chemical Society 2006 27 93-98 New Stigmastane Steroids Constituents from Rice Hulls of Oryza sativa and Inhibitory Activity on Radish seed Ill-Min Chung, Mohd Ali, Tran Dang Khanh, Myoung Gun Choung, Hong Jae Park, Ateeque Ahmad* Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . hexadecanoic acid C16H62O2 相似度:80% Natural Product Research and Development 2009 21 973-975 Study on the Chemical Constituents of Selaginella involvens Spring and Antibacterial Activity LU Man-xia; HUANG Ke-long; SHI Shu-yun; ZHANG Hao Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . lauric anhydride 相似度:80% Natural Product Research and Development 1998 10(4) 19-25 STUDY ON THE CHEMICAL CONSTITUENTS OF PLEUROSPERMUM HOOKERI VAR. THOMSONII Wang Tianzhi; Li Tao Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 21 . (2S,3R)-2,3-O-isopropylideneicosanol C23H46O3 相似度:80% Journal of Medicinal Chemistry 2006 49 5830-5839 Isolation, Structure Elucidation, Total Synthesis, and Evaluation of New Natural and Synthetic Ceramides on Human SK-MEL-1 Melanoma Cells Francisco León, Ignacio Brouard, Augusto Rivera, Fernando Torres, Sara Rubio, José Quintana, Francisco Estévez, and Jaime Bermejo Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 22 . Palmitic acid 相似度:80% Natural Product Communications 2007 2 775-778 A Cytotoxic and Hepatoprotective Agent from Withaniasomnifera and Biological evaluation of its Ester Derivatives Mohit Saxena, Uzma faridi, S.K. Srivastava, M. P. Darokar, Rupal Mishra,Anirban Pal, Brijesh Shisodia and S. P. S. Khanuja Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 23 . 1,3-Dihydroxypropan-2-yl tetradecanoate C17H34O4 相似度:80% Tetrahedron 2012 68 5422-5428 Application of chemoenzymatic hydrolysis in the synthesis of 2-monoacylglycerols Kyle M. Whitten, Alexandros Makriyannis, Subramanian K. Vadivel Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 24 . 1,3-Dihydroxypropan-2-yl stearate C21H42O4 相似度:80% Tetrahedron 2012 68 5422-5428 Application of chemoenzymatic hydrolysis in the synthesis of 2-monoacylglycerols Kyle M. Whitten, Alexandros Makriyannis, Subramanian K. Vadivel Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 25 . stearic acid 相似度:80% Mycosystema 2012 31 775-783 Chemical constituents and antitumor activity of fruiting body of Fomes fomentarius HUANG Tian-Zi DU De-Yao CHEN Yong-Qiang YUAN Bo JU Xiu-Yun FENG You-Jian WANG Li JIANG Ji-Hong Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 26 . 7,9-octadecadiynoic 相似度:77.7% Journal of Natural Products 1989 Vol 52 153 Novel Acetylenic Acids from the Root Bark of Paramacrolobium caeruleum: Inhibitors of 3-Hydroxy-3-methyl-glutaryl Coenzyme A Reductase Ashok D. Patil, James A. Chan, Pearl Lois-Flamberg, Ruth J. Mayer, John W. Westley Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 27 . (5R,6S)-5,6-Isopropylideneoxyhexadecanoic acid C19H36O4 相似度:76.4% Heterocycles 2000 53 703-707 A New Synthesis of (-)-(5R,6S)-6-Acetoxy-5-hexadecanolide, the Mosquito Culex pipiens fatigans Oviposition Attractant Pheromone John K. Gallos,* Demetrios S. Mihelakis, Constantinos C. Dellios, and Minodora E. Pozarentzi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 28 . (3S,4R)-dihydroxy-(6S)-undecyl-α-pyranone C16H30O4 相似度:75% Journal of Asian Natural Products Research 2004 6 185-191 TWO NEW METABOLITES FROM THE MANGROVE ENDOPHYTIC FUNGUS NO. 2524 HOU-JIN LI, YONG-CHENG LIN, JUN-HUA YAO, L.L.P. VRIJMOED and E.B. GARETH JONES Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 29 . (Z)-6-Hexadecenoic acid 相似度:75% Bioorganic & Medicinal Chemistry 2011 19 567-579 Design, synthesis and antimycobacterial activities of 1-methyl-2-alkenyl-4(1H)-quinolones Abraham A. Wube, Antje Hüfner, Christina Thomaschitz, Martina Blunder, Manfred Kollroser,Rudolf Bauer, Franz Bucar Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 30 . n-hexacos-11-enoic acid C26H50O2 相似度:75% Indian Journal of Chemistry 2009 48B 1164-1169 A new aliphatic acid from Achyranthes aspera Linn. Roots Sharma,Surendra Kr; Vasudeva,Neeru; Ali,M Structure 13C NMR 碳谱模拟图 |
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