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Benzo[b]thiophene, 2,7-diethyl-
SpectraBase Compound ID DaWCSHYi1UD
InChI InChI=1S/C12H14S/c1-3-9-6-5-7-10-8-11(4-2)13-12(9)10/h5-8H,3-4H2,1-2H3
InChIKey MJSFKUIPYUXCFK-UHFFFAOYSA-N
Mol Weight 190.3 g/mol
Molecular Formula C12H14S
Exact Mass 190.081622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16WWKHUmK0Z
Name Benzo[b]thiophene, 2,7-diethyl-
CAS Registry Number 16587-45-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14S
InChI InChI=1S/C12H14S/c1-3-9-6-5-7-10-8-11(4-2)13-12(9)10/h5-8H,3-4H2,1-2H3
InChIKey MJSFKUIPYUXCFK-UHFFFAOYSA-N
Molecular Weight 190.304 g/mol
SMILES c12c(cc(s2)CC)cccc1CC
SPLASH splash10-004i-0900000000-9b510418b29d367258ef
Source of Spectrum JX-2015-6-10419
Synonyms 2,7-Diethyl-1-benzothiophene 2,7-Diethylbenzothiophene 2,7-Diethylbenzo(b)thiophene 2,7-Diethyl-1-thiaindene 2,7-Diethylbenzo[b]thiophene
Wiley ID 1730680