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Benzene, 1-(butylthio)-3-methyl-
SpectraBase Compound ID Ilnl3RZlXuW
InChI InChI=1S/C11H16S/c1-3-4-8-12-11-7-5-6-10(2)9-11/h5-7,9H,3-4,8H2,1-2H3
InChIKey ZBSYXBWBSAXZMZ-UHFFFAOYSA-N
Mol Weight 180.31 g/mol
Molecular Formula C11H16S
Exact Mass 180.097272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F2W5TnbTIHH
Name Benzene, 1-(butylthio)-3-methyl-
CAS Registry Number 54576-41-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16S
InChI InChI=1S/C11H16S/c1-3-4-8-12-11-7-5-6-10(2)9-11/h5-7,9H,3-4,8H2,1-2H3
InChIKey ZBSYXBWBSAXZMZ-UHFFFAOYSA-N
Molecular Weight 180.309 g/mol
SMILES CCCCSc1cccc(C)c1
SPLASH splash10-00el-9800000000-1d3942ee9c15329bea35
Source of Spectrum AP-0-2216-0
Synonyms 1-(Butylsulfanyl)-3-methylbenzene 1-(butylthio)-3-methyl-benzene 1-(butylthio)-3-methylbenzene 1-Butylsulfanyl-3-methylbenzene
Wiley ID 18231