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Benzene, 1-methyl-3-[(1-methylpropyl)thio]-
SpectraBase Compound ID 2HYfWCmuF8z
InChI InChI=1S/C11H16S/c1-4-10(3)12-11-7-5-6-9(2)8-11/h5-8,10H,4H2,1-3H3
InChIKey HVVQXXNHDDESCX-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 5CnEY9uXCZH
Name Benzene, 1-methyl-3-[(1-methylpropyl)thio]-
CAS Registry Number 54576-39-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16S
InChI InChI=1S/C11H16S/c1-4-10(3)12-11-7-5-6-9(2)8-11/h5-8,10H,4H2,1-3H3
InChIKey HVVQXXNHDDESCX-UHFFFAOYSA-N
Molecular Weight 180.309 g/mol
SMILES CCC(C)Sc1cccc(C)c1
SPLASH splash10-00dl-9800000000-63082c7377ba9082a8a8
Source of Spectrum AP-0-2219-0
Synonyms 1-(Sec-butylsulfanyl)-3-methylbenzene 1-(butan-2-ylthio)-3-methylbenzene 1-Butan-2-ylsulfanyl-3-methyl-benzene 1-Methyl-3-(sec-butylthio)benzene 1-Methyl-3-sec-butylsulfanyl-benzene
Wiley ID 18228