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1-(tert-Butyl)-2-(methylthio)benzene
SpectraBase Compound ID C1eaA2WVfI5
InChI InChI=1S/C11H16S/c1-11(2,3)9-7-5-6-8-10(9)12-4/h5-8H,1-4H3
InChIKey RGTJSTWNDRUGGB-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 uZiF1v0j81
Name 1-(tert-Butyl)-2-(methylthio)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16S
InChI InChI=1S/C11H16S/c1-11(2,3)9-7-5-6-8-10(9)12-4/h5-8H,1-4H3
InChIKey RGTJSTWNDRUGGB-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol2010962
Molecular Weight 180.309 g/mol
SMILES c1c(c(SC)ccc1)C(C)(C)C
SPLASH splash10-014i-0900000000-c3964bd9d646e7589810
Source of Spectrum A1-13-3170/SMS26-5
Synonyms 2-Tert-Butylphenyl Methyl Sulfide 1-Tert-butyl-2-(methylsulfanyl)benzene 1-Tert-butyl-2-methylsulfanylbenzene 1-Tert-butyl-2-methylsulfanyl-benzene (2-(tert-butyl)phenyl)(methyl)sulfane
Wiley ID 1753328