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5-Hepten-2-one, 5-methyl-7-(phenylthio)-

View entire compound with spectra: 1 MS (GC)

5-Hepten-2-one, 5-methyl-7-(phenylthio)-
SpectraBase Compound ID K5y8nlcGSGg
InChI InChI=1S/C14H18OS/c1-12(8-9-13(2)15)10-11-16-14-6-4-3-5-7-14/h3-7,10H,8-9,11H2,1-2H3/b12-10-
InChIKey NXKBCWSGURXUGF-BENRWUELSA-N
Mol Weight 234.36 g/mol
Molecular Formula C14H18OS
Exact Mass 234.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1bVDCWhGc5U
Name 5-Hepten-2-one, 5-methyl-7-(phenylthio)-
CAS Registry Number 95921-23-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18OS
InChI InChI=1S/C14H18OS/c1-12(8-9-13(2)15)10-11-16-14-6-4-3-5-7-14/h3-7,10H,8-9,11H2,1-2H3/b12-10-
InChIKey NXKBCWSGURXUGF-BENRWUELSA-N
Molecular Weight 234.357 g/mol
SMILES C(\C=C/(CCC(=O)C)C)Sc1ccccc1
SPLASH splash10-002f-9600000000-ae30e398fa96d6dc588f
Source of Spectrum F-40-4017-0
Wiley ID 1236040