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Benzo[b]thiophene, 3-(hexylthio)-
SpectraBase Compound ID 1dO8uidUDn2
InChI InChI=1S/C14H18S2/c1-2-3-4-7-10-15-14-11-16-13-9-6-5-8-12(13)14/h5-6,8-9,11H,2-4,7,10H2,1H3
InChIKey RQIBLKVRQAIOBM-UHFFFAOYSA-N
Mol Weight 250.42 g/mol
Molecular Formula C14H18S2
Exact Mass 250.084993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kg1aBT99VCa
Name Benzo[b]thiophene, 3-(hexylthio)-
CAS Registry Number 55044-61-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18S2
InChI InChI=1S/C14H18S2/c1-2-3-4-7-10-15-14-11-16-13-9-6-5-8-12(13)14/h5-6,8-9,11H,2-4,7,10H2,1H3
InChIKey RQIBLKVRQAIOBM-UHFFFAOYSA-N
Molecular Weight 250.418 g/mol
SMILES CCCCCCSc1csc2ccccc12
SPLASH splash10-014i-2910000000-b74b569f12294804030d
Source of Spectrum AP-0-2174-0
Synonyms 3-(Hexylsulfanyl)-1-benzothiophene 3-(hexylthio)-1-benzothiophene 3-(Hexylthio)benzothiophene 3-Hexylsulfanylbenzothiophene
Wiley ID 35094