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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 66TS80g1aRA
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 CCc1cccc2cc(CC)sc12
SPLASH splash10-00kr-9200000000-2d4c6b1be68386a2028d
Source of Spectrum AA-0-1324-1
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 20771