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3-Acetoxybenzothiophene-2-carboxylic acid ethyl ester
SpectraBase Compound ID Ejrd3v5v0Mn
InChI InChI=1S/C13H12O4S/c1-3-16-13(15)12-11(17-8(2)14)9-6-4-5-7-10(9)18-12/h4-7H,3H2,1-2H3
InChIKey QMKQWWUZMCUAFC-UHFFFAOYSA-N
Mol Weight 264.29 g/mol
Molecular Formula C13H12O4S
Exact Mass 264.04563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9s3JfmGpid5
Name 3-Acetoxybenzothiophene-2-carboxylic acid ethyl ester
CAS Registry Number 131327-65-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12O4S
InChI InChI=1S/C13H12O4S/c1-3-16-13(15)12-11(17-8(2)14)9-6-4-5-7-10(9)18-12/h4-7H,3H2,1-2H3
InChIKey QMKQWWUZMCUAFC-UHFFFAOYSA-N
Molecular Weight 264.295 g/mol
SMILES c1(c(c2ccccc2s1)OC(=O)C)C(=O)OCC
SPLASH splash10-00b9-1940000000-84b3bfbd85da0c475a31
Source of Spectrum F-46-6542-19
Synonyms 3-Acetyloxy-1-benzothiophene-2-carboxylic acid ethyl ester Ethyl 3-acetoxybenzothiophene-2-carboxylate
Wiley ID 1267626