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Benzo[b]thiophene, 2-ethyl-5-methyl-
SpectraBase Compound ID BNZkXgeQrhW
InChI InChI=1S/C11H12S/c1-3-10-7-9-6-8(2)4-5-11(9)12-10/h4-7H,3H2,1-2H3
InChIKey FUHSVKSNUCZRQQ-UHFFFAOYSA-N
Mol Weight 176.28 g/mol
Molecular Formula C11H12S
Exact Mass 176.065972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 14btRrqXXPm
Name Benzo[b]thiophene, 2-ethyl-5-methyl-
CAS Registry Number 16587-51-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12S
InChI InChI=1S/C11H12S/c1-3-10-7-9-6-8(2)4-5-11(9)12-10/h4-7H,3H2,1-2H3
InChIKey FUHSVKSNUCZRQQ-UHFFFAOYSA-N
Molecular Weight 176.277 g/mol
SMILES c12c(cc(s2)CC)cc(cc1)C
SPLASH splash10-03di-0900000000-13efe064deeb284239c0
Source of Spectrum JX-2015-6-9913
Synonyms 2-Ethyl-5-methyl-1-benzothiophene 2-Ethyl-5-methyl-benzothiophene 2-Ethyl-5-methylbenzo[b]thiophene 2-Ethyl-5-methylbenzo(b)thiophene 2-Ethyl-5-methyl-1-thiaindene
Wiley ID 1730467