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Benzo[b]thiophene, 2,5,7-trimethyl-

View entire compound with spectra: 3 MS (GC)

Benzo[b]thiophene, 2,5,7-trimethyl-
SpectraBase Compound ID GJ2OivMcQrC
InChI InChI=1S/C11H12S/c1-7-4-8(2)11-10(5-7)6-9(3)12-11/h4-6H,1-3H3
InChIKey PNEAISMECMOVFA-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 1mch5CGznp6
Name Benzo[b]thiophene, 2,5,7-trimethyl-
CAS Registry Number 16587-65-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12S
InChI InChI=1S/C11H12S/c1-7-4-8(2)11-10(5-7)6-9(3)12-11/h4-6H,1-3H3
InChIKey PNEAISMECMOVFA-UHFFFAOYSA-N
Molecular Weight 176.277 g/mol
SMILES c12c(cc(s2)C)cc(cc1C)C
SPLASH splash10-004i-0900000000-a627435bfc5d1625ae78
Source of Spectrum JX-2015-6-10441
Synonyms 2,5,7-Trimethyl-1-benzothiophene 2,5,7-Trimethylbenzothiophene 2,5,7-Trimethylbenzo[b]thiophene 2,5,7-Trimethylbenzo(b)thiophene 2,5,7-Trimethyl-1-thiaindene Benzothiophene, 2,5,7-trimethyl
Wiley ID 1730688