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

*Links on SpectraBase are not permalinks.
3-Acetylamino-4,6-dinitro-benzo[b]thiophene-2-carboxylic acid ethyl ester
SpectraBase Compound ID CpoPPohigbP
InChI InChI=1S/C13H11N3O7S/c1-3-23-13(18)12-11(14-6(2)17)10-8(16(21)22)4-7(15(19)20)5-9(10)24-12/h4-5H,3H2,1-2H3,(H,14,17)
InChIKey ISXZFCVWJQJESY-UHFFFAOYSA-N
Mol Weight 353.31 g/mol
Molecular Formula C13H11N3O7S
Exact Mass 353.031771 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 LeGKPpyalVx
Name 3-Acetylamino-4,6-dinitro-benzo[b]thiophene-2-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11N3O7S
InChI InChI=1S/C13H11N3O7S/c1-3-23-13(18)12-11(14-6(2)17)10-8(16(21)22)4-7(15(19)20)5-9(10)24-12/h4-5H,3H2,1-2H3,(H,14,17)
InChIKey ISXZFCVWJQJESY-UHFFFAOYSA-N
Molecular Weight 353.305 g/mol
SMILES N(c1c(sc2cc(N(=O)=O)cc(c12)N(=O)=O)C(=O)OCC)C(=O)C
SPLASH splash10-01ox-9323000000-4134967b79b431b28601
Synonyms 3-Acetamido-4,6-dinitro-1-benzothiophene-2-carboxylic acid ethyl ester 3-Acetamido-4,6-dinitro-benzothiophene-2-carboxylic acid ethyl ester Ethyl 3-(acetylamino)-4,6-dinitro-1-benzothiophene-2-carboxylate Ethyl 3-acetamido-4,6-dinitro-1-benzothiophene-2-carboxylate Ethyl 3-acetamido-4,6-dinitro-benzothiophene-2-carboxylate
Wiley ID 1462831