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

*Links on SpectraBase are not permalinks.
Benzothiophene-2-carboxylic acid, 3-acetamido-7-chloro-6-hydroxymethyl-, ethyl ester
SpectraBase Compound ID 15apuldtPMM
InChI InChI=1S/C14H14ClNO4S/c1-3-20-14(19)13-11(16-7(2)18)9-5-4-8(6-17)10(15)12(9)21-13/h4-5,17H,3,6H2,1-2H3,(H,16,18)
InChIKey STOVUZDBMVIJIX-UHFFFAOYSA-N
Mol Weight 327.78 g/mol
Molecular Formula C14H14ClNO4S
Exact Mass 327.033207 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 Fi5PKjSDKRz
Name Benzothiophene-2-carboxylic acid, 3-acetamido-7-chloro-6-hydroxymethyl-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14ClNO4S
InChI InChI=1S/C14H14ClNO4S/c1-3-20-14(19)13-11(16-7(2)18)9-5-4-8(6-17)10(15)12(9)21-13/h4-5,17H,3,6H2,1-2H3,(H,16,18)
InChIKey STOVUZDBMVIJIX-UHFFFAOYSA-N
Molecular Weight 327.782 g/mol
SMILES OCc1c(c2sc(c(c2cc1)NC(=O)C)C(=O)OCC)Cl
SPLASH splash10-000f-9581000000-19bf86b2f8ff7b54fe42
Source of Spectrum AD-0-2532-0
Synonyms 3-Acetamido-7-chloro-6-(hydroxymethyl)-1-benzothiophene-2-carboxylic acid ethyl ester 3-Acetamido-7-chloro-6-methylol-benzothiophene-2-carboxylic acid ethyl ester Ethyl 3-(acetylamino)-7-chloro-6-(hydroxymethyl)-1-benzothiophene-2-carboxylate Ethyl 3-acetamido-7-chloranyl-6-(hydroxymethyl)-1-benzothiophene-2-carboxylate Ethyl 3-acetamido-7-chloro-6-(hydroxymethyl)-1-benzothiophene-2-carboxylate Ethyl 3-acetamido-7-chloro-6-(hydroxymethyl)benzothiophene-2-carboxylate
Wiley ID 1426414