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Butyl benzo[b]thiophene-3-carboxylate
SpectraBase Compound ID CQ1mQomk3F0
InChI InChI=1S/C13H14O2S/c1-2-3-8-15-13(14)11-9-16-12-7-5-4-6-10(11)12/h4-7,9H,2-3,8H2,1H3
InChIKey GDWOPAIMBFJGES-UHFFFAOYSA-N
Mol Weight 234.31 g/mol
Molecular Formula C13H14O2S
Exact Mass 234.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ZdmIzpVw0
Name Butyl benzo[b]thiophene-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O2S
InChI InChI=1S/C13H14O2S/c1-2-3-8-15-13(14)11-9-16-12-7-5-4-6-10(11)12/h4-7,9H,2-3,8H2,1H3
InChIKey GDWOPAIMBFJGES-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200606044
Molecular Weight 234.313 g/mol
SMILES c12c(c(cs2)C(=O)OCCCC)cccc1
SPLASH splash10-01u0-1930000000-c61c0a5c23bb40fab32a
Source of Spectrum ASC-348-1255/SM4-4_2
Synonyms 1-Benzothiophene-3-carboxylic acid butyl ester Butyl benzothiophene-3-carboxylate Butyl 1-benzothiophene-3-carboxylate
Wiley ID 1764913