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5-Hepten-2-one, 3,6-dimethyl-1-(phenylthio)-

View entire compound with spectra: 1 MS (GC)

5-Hepten-2-one, 3,6-dimethyl-1-(phenylthio)-
SpectraBase Compound ID 8iFGsRzaOgy
InChI InChI=1S/C15H20OS/c1-12(2)9-10-13(3)15(16)11-17-14-7-5-4-6-8-14/h4-9,13H,10-11H2,1-3H3
InChIKey PYYWDTFNGGJAEF-UHFFFAOYSA-N
Mol Weight 248.38 g/mol
Molecular Formula C15H20OS
Exact Mass 248.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A2fNZBYNZo
Name 5-Hepten-2-one, 3,6-dimethyl-1-(phenylthio)-
Alternate Name(s) 3,6-Dimethyl-1-(phenylsulfanyl)-5-hepten-2-one 3,6-Dimethyl-1-phenylthio-5-hepten-2-one
CAS Registry Number 66032-96-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20OS
InChI InChI=1S/C15H20OS/c1-12(2)9-10-13(3)15(16)11-17-14-7-5-4-6-8-14/h4-9,13H,10-11H2,1-3H3
InChIKey PYYWDTFNGGJAEF-UHFFFAOYSA-N
Molecular Weight 248.384 g/mol
SMILES C(=C(C)C)CC(C(CSc1ccccc1)=O)C
SPLASH splash10-0002-9430000000-fae503c1dec907bee2ef
Source of Spectrum H-61-88-0
Wiley ID 1251224