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Benzo[b]thiophene, 2-[(2-methylpropyl)thio]-
SpectraBase Compound ID AtwkNdgWcrZ
InChI InChI=1S/C12H14S2/c1-9(2)8-13-12-7-10-5-3-4-6-11(10)14-12/h3-7,9H,8H2,1-2H3
InChIKey LMXJTNQWGSGLMV-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 57ubsBEM06D
Name Benzo[b]thiophene, 2-[(2-methylpropyl)thio]-
CAS Registry Number 54965-47-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14S2
InChI InChI=1S/C12H14S2/c1-9(2)8-13-12-7-10-5-3-4-6-11(10)14-12/h3-7,9H,8H2,1-2H3
InChIKey LMXJTNQWGSGLMV-UHFFFAOYSA-N
Molecular Weight 222.364 g/mol
SMILES CC(C)CSc1cc2ccccc2s1
SPLASH splash10-014i-3910000000-3401333fb21d733077fd
Source of Spectrum AP-0-2168-0
Synonyms 2-(Isobutylsulfanyl)-1-benzothiophene 2-(2-Methylpropylsulfanyl)-1-benzothiophene 2-(2-Methylpropylthio)-1-benzothiophene 2-(Isobutylthio)benzothiophene 2-Isobutylsulfanylbenzothiophene
Wiley ID 28853