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Benzene, 1-methyl-3-[(2-methylpropyl)thio]-
SpectraBase Compound ID Kl0hcw9dhAo
InChI InChI=1S/C11H16S/c1-9(2)8-12-11-6-4-5-10(3)7-11/h4-7,9H,8H2,1-3H3
InChIKey KRXIEQVZXKGPPE-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 CcqqYuLuWs8
Name Benzene, 1-methyl-3-[(2-methylpropyl)thio]-
CAS Registry Number 54576-36-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16S
InChI InChI=1S/C11H16S/c1-9(2)8-12-11-6-4-5-10(3)7-11/h4-7,9H,8H2,1-3H3
InChIKey KRXIEQVZXKGPPE-UHFFFAOYSA-N
Molecular Weight 180.309 g/mol
SMILES Cc1cccc(c1)SCC(C)C
SPLASH splash10-0083-9800000000-c8814b465ceb5cbfa598
Source of Spectrum AP-0-2225-0
Synonyms 1-(Isobutylsulfanyl)-3-methylbenzene 1-(isobutylthio)-3-methyl-benzene 1-Methyl-3-(2-methylpropylsulfanyl)benzene 1-Methyl-3-(2-methylpropylthio)benzene
Wiley ID 18225