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Benzo[b]thiophene, 2-(hexylthio)-
SpectraBase Compound ID 8Mq17Qjpbdh
InChI InChI=1S/C14H18S2/c1-2-3-4-7-10-15-14-11-12-8-5-6-9-13(12)16-14/h5-6,8-9,11H,2-4,7,10H2,1H3
InChIKey RJWQZTCYMCCUSL-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 JZtAypufci3
Name Benzo[b]thiophene, 2-(hexylthio)-
CAS Registry Number 55044-60-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18S2
InChI InChI=1S/C14H18S2/c1-2-3-4-7-10-15-14-11-12-8-5-6-9-13(12)16-14/h5-6,8-9,11H,2-4,7,10H2,1H3
InChIKey RJWQZTCYMCCUSL-UHFFFAOYSA-N
Molecular Weight 250.418 g/mol
SMILES CCCCCCSc1cc2ccccc2s1
SPLASH splash10-014i-1920000000-2a89451ae44f0d8f2061
Source of Spectrum AP-0-2173-0
Synonyms 2-(Hexylsulfanyl)-1-benzothiophene 2-(hexylthio)-1-benzothiophene 2-(Hexylthio)benzothiophene 2-Hexylsulfanylbenzothiophene
Wiley ID 35093