For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
benzo[b]thiophene-2-carboxylic acid, 6-nitro-4-(phenylthio)-3-(1H-pyrrol-1-yl)-, methyl ester
SpectraBase Compound ID Fd0No6ppTqI
InChI InChI=1S/C20H14N2O4S2/c1-26-20(23)19-18(21-9-5-6-10-21)17-15(27-14-7-3-2-4-8-14)11-13(22(24)25)12-16(17)28-19/h2-12H,1H3
InChIKey GURQTFFGFNBLRB-UHFFFAOYSA-N
Mol Weight 410.46 g/mol
Molecular Formula C20H14N2O4S2
Exact Mass 410.039499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5rS50xZDGwH
Name 6-Nitro-4-(phenylthio)-3-(1-pyrrolyl)-1-benzothiophene-2-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H14N2O4S2
InChI InChI=1S/C20H14N2O4S2/c1-26-20(23)19-18(21-9-5-6-10-21)17-15(27-14-7-3-2-4-8-14)11-13(22(24)25)12-16(17)28-19/h2-12H,1H3
InChIKey GURQTFFGFNBLRB-UHFFFAOYSA-N
Molecular Weight 410.462 g/mol
SMILES c1(c(c2c(cc(N(=O)=O)cc2s1)Sc1ccccc1)-[n]1cccc1)C(=O)OC
SPLASH splash10-0imi-8954300000-deda0776ce2462c5f0e0
Synonyms 6-Nitro-4-(phenylthio)-3-pyrrol-1-yl-benzothiophene-2-carboxylic acid methyl ester Methyl 6-nitro-4-(phenylsulfanyl)-3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate Methyl 6-nitro-4-phenylsulfanyl-3-pyrrol-1-yl-1-benzothiophene-2-carboxylate Methyl 6-nitro-4-phenylsulfanyl-3-pyrrol-1-yl-benzothiophene-2-carboxylate
Wiley ID 1464860