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小蘑菇0018

木虫 (正式写手)

[求助] 微谱数据求助!

数据如下:
32.25,111.21,120.62,121.13,122.42,127.20,130.23,140.47,197.53
貌似分子量为256或299,可能存在部分二聚体。
请哪位大虾指教啊!
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wq0616

铁杆木虫 (正式写手)

【答案】应助回帖

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感谢参与,应助指数 +1
小蘑菇0018: 金币+10, 有帮助, 貌似都不是啊!MM! 2013-03-18 13:51:48
1 .     methyl 2-(1H-indazol-3-yl)acetate
C10H10N2O2     相似度:70%
Tetrahedron          2012          68          10049-10058
Straightforward protocol for the efficient synthesis of varied N1-acylated (aza)indole 2-/3-alkanoic acids and esters: optimization and scale-up
Andy J. Liedtke, Kwangho Kim, Donald F. Stec, Gary A. Sulikowski, Lawrence J. Marnett
Structure      13C NMR   碳谱模拟图
2 .     compound 2
    相似度:66.6%
Journal of Heterocyclic Chemistry          2002          39          61-67
Photocyclization reactions. Part 8. Synthesis of 2-quinolone, quinoline and coumarin derivatives using trans-cis isomerization by photoreaction
Takaaki Horaguchi, Nobuyuki Hosokawa, Kiyoshi Tanemura and Tsuneo Suzuki
Structure      13C NMR   碳谱模拟图
3 .     compound 3a
C14H10N2O2     相似度:66.6%
Heterocycles          2008          76          249-256
Ultrasound-Assisted N-Arylation of Indoles without any Catalyst
Hui Xu, Lei Lv, Ling-ling Fan, and Xiao-qiang He
Structure      13C NMR   碳谱模拟图
4 .     compound 3a and 3m
C14H10N2O2     相似度:66.6%
Zeitschrift für Naturforschung B          2008          63          298-302
Microwave-assisted N-Arylation of Indoles via C(sp2)-N(sp2) Bond Formation by Aromatic Nucleophilic Substitution Reactions
H. Xu and L.-L. Fan
Structure      13C NMR   碳谱模拟图
5 .     (4-bromophenyl)-(1-methyl-1H-imidazol-2-yl)-methanol
    相似度:66.6%
Bioorganic & Medicinal Chemistry          2010          18          4570-4590
Selective angiotensin II AT2 receptor agonists with reduced CYP 450 inhibition
A.K. Mahalingam, Yiqian Wan, A.M.S. Murugaiah, Charlotta Wallinder, Xiongyu Wu, Bianca Plouffe, Milad Botros, Fred Nyberg, Anders Hallberg, Nicole Gallo-Payet, Mathias Alterman
Structure      13C NMR   碳谱模拟图
6 .     5-bromo-1-methyl-1H-indole
C9H8BrN     相似度:66.6%
Bioorganic & Medicinal Chemistry          2010          18          4524-4529
Synthesis and antitumor activity of 2, 5-bis(3'-indolyl)-furans and 3, 5-bis(3'-indolyl)-isoxazoles, nortopsentin analogues
Patrizia Diana, Anna Carbone, Paola Barraja, Gerhard Kelter, Heinz-Herbert Fiebig, Girolamo Cirrincione
Structure      13C NMR   碳谱模拟图
7 .     3-bromo-indazole
    相似度:66.6%
Organic Magnetic Resonance          1982          19          225-227
Carbon-13 NMR study of some isomeric n-nitroindazole derivatives
Pauline Cohen-Fernandes, Cornelis Erkelens and Clarisse L. Habraken
Structure      13C NMR   碳谱模拟图
8 .     1-isopropenylindole
    相似度:63.6%
Russian Journal of Organic Chemistry          2007          43          397-405
Comparison of the electronic and steric structures of 1-vinyl-and 1-(prop-1-en-1-yl)pyrroles according to the 1H and 13C NMR data
A. V. Afonin, I. A. Ushakov, D. E. Simonenko, O. A. Tarasova and M. A. Maksimova, et al.
Structure      13C NMR   碳谱模拟图
9 .     compound XV
C11H11N     相似度:63.6%
Russian Journal of Organic Chemistry          2003          39          408-414
N-Isopropenylazoles: I. Direct N-Isopropenylation of Azoles with Propyne and Allene
B. A. Trofimov, O. A. Tarasova, M. A. Shemetova, A. V. Afonin and L. V. Klyba, et al.
Structure      13C NMR   碳谱模拟图
10 .     compound 19b
C12H11NO5S2     相似度:60%
Journal of Heterocyclic Chemistry          2010          47          1215-1220
Synthesis of -oxo-sulfines in the indole series
Jan Bergman and Ivan Romero
Structure      13C NMR   碳谱模拟图
11 .     4-(4-Dimethylamino-benzylideneamino)-benzene-sulfonamide
C15H17N3O2S     相似度:60%
Bioorganic & Medicinal Chemistry          2008          16          2697-2706
Selective COX-2 inhibitors. Part 2: Synthesis and biological evaluation of 4-benzylideneamino- and 4-phenyliminomethyl-benzenesulfonamides
Shwu-Jiuan Lin, Wei-Jern Tsai, Wen-Fei Chiou, Tsang-Hsiung Yang, Li-Ming Yang
Structure      13C NMR   碳谱模拟图
12 .     3-Bromo-2-formyl-1-methylindole
C10H8NOBr     相似度:60%
Tetrahedron Letters          2002          43          7135-7137
Selective lithiation of 2,3-dibromo-1-methylindole. A synthesis of 2,3-disubstituted indoles
Yanbing Liu, Gordon W Gribble
Structure      13C NMR   碳谱模拟图
13 .     [4-(N,N'-dimethyl)-benzylidene] phenylamine
    相似度:60%
Tetrahedron Letters          2005          46          1119-1122
Microwave-assisted synthesis of 4,4'-diaminotriphenylmethanes
D. Guzmán-Lucero, J. Guzmán, D. Likhatchev, R. Martínez-Palou
Structure      13C NMR   碳谱模拟图
14 .     6,7,12,13-Tetrahydro-5,7-dioxo-5H-indolo[2,3-a]furo[3,4-C]carbazole
C20H10O3N2     相似度:60%
Bioorganic & Medicinal Chemistry          1993          1          193-196
Protein kinase C inhibitors; Structure—activity relationships in K252c-related compounds
Serge Fabre, Michelle Prudhomme, Maryse Rapp
Structure      13C NMR   碳谱模拟图
15 .     2-acetyl-5,6-dichloro-1-methyl-1H-benzimidazole
C10H8Cl2N2O     相似度:60%
Bioorganic & Medicinal Chemistry          2009          17          1724-1730
Synthesis and antiprotozoal activity of novel 1-methylbenzimidazole derivatives
David Valdez-Padilla, Sergio Rodríguez-Morales, Alicia Hernández-Campos, Francisco Hernández-Luis, Lilián Yépez-Mulia, Amparo Tapia-Contreras, Rafael Castillo
Structure      13C NMR   碳谱模拟图
16 .     2-(1H-Indol-3-yl) acetyl azide
C10H8N4O     相似度:60%
Indian Journal of Chemistry          2011          50B          103-109
Application of 2-(1H-benzotriazol-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate (TBTU) for the synthesis of acid azides
Naik, Shankar A; Lalithamba, H S; Sureshbabu, Vommina V
Structure      13C NMR   碳谱模拟图
17 .     2-(1H-indol-2-yl)propane-1,3-diamine
    相似度:60%
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
18 .     1-phenyl-1H-indole
    相似度:58.3%
European Journal of Organic Chemistry          2010                   6678-6684
Copper Iodide as a Recyclable Catalyst for Buchwald N-Arylation
Kokkirala Swapna, Sabbavarapu Narayana Murthy and Yadavalli Venkata Durga Nageswar
Structure      13C NMR   碳谱模拟图
19 .     2-Methyl-3-(phenylselanyl)-1H-indole
    相似度:58.3%
Tetrahedron          2012          68          10464-10469
Efficient synthesis of 3-selanyl- and 3-sulfanylindoles employing trichloroisocyanuric acid and dichalcogenides
Claudio C. Silveira, Samuel R. Mendes, Lucas Wolf, Guilherme M. Martins, Lisandro von Mühlen
Structure      13C NMR   碳谱模拟图
20 .     1,1,1-tris(3-indolyl)methane
C25H19N3     相似度:55.5%
Journal of Natural Products          2003          66          1520-1523
New Indole Alkaloids from the North Sea Bacterium Vibrio parahaemolyticus Bio2491
Ravikanth Veluri,Imelda Oka, Irene Wagner-Döbler, and Hartmut Laatsch
Structure      13C NMR   碳谱模拟图
21 .     2(1H)-quinolinone
    相似度:55.5%
Natural Product Research          1993          3          227-231
Isolation of Quinolinones from Ayurvedic Processed Root Tubers of Aconitum ferox1
Jampani Bhogi Hanuman; Alfred Katz
Structure      13C NMR   碳谱模拟图
22 .     4-hydroxyphenyl-2-pyridinio-1-olate /4-hydroxyphenyl-3-pyridinio-1-olate
    相似度:55.5%
Natural Product Research          2005          19          541-546
Investigation of a betainic alkaloid from Punica granatum
Andreas Schmidt; Thorsten Mordhorst; Martin Nieger
Structure      13C NMR   碳谱模拟图
23 .     indole-3-carboxamide
C9H8N2O     相似度:55.5%
Phytochemistry          2000          53          59-69
Biotransformation of the phytoalexin camalexin by the phytopathogen Rhizoctonia solani
M. Soledade C. Pedras, Abdul Q. Khan
Structure      13C NMR   碳谱模拟图
24 .     3-Indolylmethylamine
    相似度:55.5%
Journal of Natural Products          1993          Vol 56          731
Metabolism of the Phytoalexin Brassinin by the "Blackleg" Fungus
M. Soledade, C. Pedras, Janet L. Taylor
Structure      13C NMR   碳谱模拟图
25 .     2-quinolone
    相似度:55.5%
Acta Pharmaceutica Sinica          1990          Vol 25          382-386
STUDIES ON THE CHEMICAL CONSTITUENTS OF BRUCEA JAVANICA (L.) MERR
YN Yu and X Li
Structure      13C NMR   碳谱模拟图
26 .     4,7-Di-tert-butylacenaphthylene
C20H24     相似度:55.5%
Canadian Journal of Chemistry          2006          84          1268-1272
Synthesis and aldol cyclotrimerization of 4,7-ditert-butylacenaphthenone1
Aaron W. Amick, Keith S. Griswold, and Lawrence T. Scott
Structure      13C NMR   碳谱模拟图
27 .     indole
C8H7N     相似度:55.5%
Marine drugs          2010          8          1203-1212
The Sponge-associated Bacterium Bacillus licheniformis SAB1: A Source of Antimicrobial Compounds
Prabha Devi,Solimabi Wahidullah,Cheryl Rodrigues and Lisette D. Souza
Structure      13C NMR   碳谱模拟图
28 .     2-Methoxybenzyl isothiocyanate
    相似度:55.5%
Phytochemistry Letters          2012          5          351-357
Antimicrobial volatile glucosinolate autolysis products from Hornungia petraea (L.) Rchb. (Brassicaceae)
Niko S. Radulović, Milan S. Dekić, Zorica Z. Stojanović-Radic
Structure      13C NMR   碳谱模拟图
29 .     2-(4-methylphenyl)benzimidazole
    相似度:55.5%
Journal of Heterocyclic Chemistry          2009          46          74-78
Solvent-free chemoselective synthesis of some novel substituted 2-arylbenzimidazoles using amino acid-based prolinium nitrate ionic liquid as catalyst
Shahnaz Rostamizadeh,Reza Aryan,Hamid Reza Ghaieni and Ali Mohammad Amani
Structure      13C NMR   碳谱模拟图
30 .     compound 6
    相似度:55.5%
Journal of Heterocyclic Chemistry          2009          46          1408-1412
Synthesis,reactivity,and NMR spectroscopy of 4,6-and 6,7-difluoro-3-methyl-1H-indazoles
Carlos Pérez Medina,Concepción López,Rosa M. Claramunt and José Elguero
Structure      13C NMR   碳谱模拟图
31 .     2,3,4,7-Tetraloroquinoline
    相似度:55.5%
Journal of Heterocyclic Chemistry          2003          40          617-623
Synthesis and biological properties of 4-substituted quinolin-2(1H)-one analogues
Jae-Chul Jung,Seikwan Oh,Won-Ki Kim,Woo-Kyu Park,Jae Yang Kong and Oee-Sook Park
Structure      13C NMR   碳谱模拟图
32 .     compound 1k
C10H9N     相似度:55.5%
Journal of Heterocyclic Chemistry          2000          37          15-24
Synthesis and nuclear magnetic resonance spectroscopic studies of 1-arylpyrroles
Chang Kiu Lee, Jung Ho Jun and Ji Sook Yu
Structure      13C NMR   碳谱模拟图
33 .     1-(1,2,3-triazol-4-yl)benzimidazolone
C9H7N5O     相似度:55.5%
Journal of Heterocyclic Chemistry          2000          37          1169-1176
1-(1,2,3-triazol-4-yl)-benzimidazolones, a new series of heterocyclic derivatives
Lucia Bertelli, Giuliana Biagi, Vincenzo Calderone, Irene Giorgi, Oreste Livi, Valerio Scartoni and Pier Luigi Barili
Structure      13C NMR   碳谱模拟图
34 .     5-thiophen-2-yl-methylene-pyrimidine-2,4,6-trione
    相似度:55.5%
Indian Journal of Chemistry          2007          46B          660-663
A new and efficient method for the synthesis of 5-arylmethylene- pyrimidine-2,4,6- trione under solvent and catalyst free conditions
Reddy,Ch Sanjeeva; Nagaraj,A; Jalapathi,P
Structure      13C NMR   碳谱模拟图
35 .     crotyl 3-furylmethyl ether
C9H12O2     相似度:55.5%
Heterocycles          2009          77          433-444
Wittig Rearrangement of 3-Furylmethyl Ethers: Facile Synthesis of 3-Methyl-2-furylmethanols and 3-Furylethanols
Masayoshi Tsubuki, Hiroyuki Okita, Kazunori Kaneko, Atsushi Shigihara, and Toshio Honda
Structure      13C NMR   碳谱模拟图
36 .     α-1-propenyl-3-furanethanol
C9H12O2     相似度:55.5%
Heterocycles          2009          77          433-444
Wittig Rearrangement of 3-Furylmethyl Ethers: Facile Synthesis of 3-Methyl-2-furylmethanols and 3-Furylethanols
Masayoshi Tsubuki, Hiroyuki Okita, Kazunori Kaneko, Atsushi Shigihara, and Toshio Honda
Structure      13C NMR   碳谱模拟图
37 .     2,5-bis(N-carbazolyl)thiophene
C28H18N2S     相似度:55.5%
Heterocycles          2009          78          1265-1269
Substituent Effects on Photophysical Properties of N-Thienylcarbazoles
Hideyuki Shimizu, Atsushi Kobayashi, Shingo Itoi, Toshitada Yoshihara, Seiji Tobita, Yosuke Nakamura, and Jun Nishimura
Structure      13C NMR   碳谱模拟图
艰难困苦,玉汝于成。
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