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2-Heptanone, 3-(phenylthio)-
SpectraBase Compound ID C5WEK16YVJO
InChI InChI=1S/C13H18OS/c1-3-4-10-13(11(2)14)15-12-8-6-5-7-9-12/h5-9,13H,3-4,10H2,1-2H3
InChIKey OWYODDMQOYKUDN-UHFFFAOYSA-N
Mol Weight 222.35 g/mol
Molecular Formula C13H18OS
Exact Mass 222.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 34aUexdv5is
Name 2-Heptanone, 3-(phenylthio)-
CAS Registry Number 62870-24-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18OS
InChI InChI=1S/C13H18OS/c1-3-4-10-13(11(2)14)15-12-8-6-5-7-9-12/h5-9,13H,3-4,10H2,1-2H3
InChIKey OWYODDMQOYKUDN-UHFFFAOYSA-N
Molecular Weight 222.346 g/mol
SMILES C(Sc1ccccc1)(C(=O)C)CCCC
SPLASH splash10-004i-0930000000-f27214fccc70e257eeae
Source of Spectrum KC-1979-1086-0
Synonyms 3-(Phenylthio)-2-heptanone 3-Phenylsulfanylheptan-2-one
Wiley ID 1222471