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Benzo[b]thiophene, 3-[(2-methylpropyl)thio]-
SpectraBase Compound ID I3pioiyZIJt
InChI InChI=1S/C12H14S2/c1-9(2)7-13-12-8-14-11-6-4-3-5-10(11)12/h3-6,8-9H,7H2,1-2H3
InChIKey HKFAZVFUOCKZGX-UHFFFAOYSA-N
Mol Weight 222.36 g/mol
Molecular Formula C12H14S2
Exact Mass 222.053693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 94WSpMyecgx
Name Benzo[b]thiophene, 3-[(2-methylpropyl)thio]-
CAS Registry Number 54965-45-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14S2
InChI InChI=1S/C12H14S2/c1-9(2)7-13-12-8-14-11-6-4-3-5-10(11)12/h3-6,8-9H,7H2,1-2H3
InChIKey HKFAZVFUOCKZGX-UHFFFAOYSA-N
Molecular Weight 222.364 g/mol
SMILES CC(C)CSc1csc2ccccc12
SPLASH splash10-014i-2910000000-0753ed2d89522a9de3b5
Source of Spectrum AP-0-2169-0
Synonyms 3-(Isobutylsulfanyl)-1-benzothiophene 3-(2-Methylpropylsulfanyl)-1-benzothiophene 3-(2-Methylpropylthio)-1-benzothiophene 3-(Isobutylthio)benzothiophene 3-Isobutylsulfanylbenzothiophene
Wiley ID 28855