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4-Methyl-4-(phenethylthio)pentan-2-one

View entire compound with spectra: 1 MS (GC)

4-Methyl-4-(phenethylthio)pentan-2-one
SpectraBase Compound ID 6BIMsF5qqhU
InChI InChI=1S/C14H20OS/c1-12(15)11-14(2,3)16-10-9-13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3
InChIKey HHCBSZSCFIKPOH-UHFFFAOYSA-N
Mol Weight 236.37 g/mol
Molecular Formula C14H20OS
Exact Mass 236.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JUoOFmGngAp
Name 4-Methyl-4-(phenethylthio)pentan-2-one
Appearance Colorless liquid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20OS
InChI InChI=1S/C14H20OS/c1-12(15)11-14(2,3)16-10-9-13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3
InChIKey HHCBSZSCFIKPOH-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 236.373 g/mol
SMILES CC(CC(C)(SCCc1ccccc1)C)=O
SPLASH splash10-0006-9500000000-65aefd50edd0c2dcbc34
Source of Spectrum EP3533786A1
Wiley ID 1874969