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2-Heptanone, 1-(phenylthio)-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-Heptanone, 1-(phenylthio)-
SpectraBase Compound ID 5GM3hjWGDFn
InChI InChI=1S/C13H18OS/c1-2-3-5-8-12(14)11-15-13-9-6-4-7-10-13/h4,6-7,9-10H,2-3,5,8,11H2,1H3
InChIKey VAPFICSUVMMEJE-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 B2iq13EBnaS
Name 2-Heptanone, 1-(phenylthio)-
CAS Registry Number 38793-74-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18OS
InChI InChI=1S/C13H18OS/c1-2-3-5-8-12(14)11-15-13-9-6-4-7-10-13/h4,6-7,9-10H,2-3,5,8,11H2,1H3
InChIKey VAPFICSUVMMEJE-UHFFFAOYSA-N
Molecular Weight 222.346 g/mol
SMILES C(Sc1ccccc1)C(=O)CCCCC
SPLASH splash10-00di-6940000000-abf2aefbdd0529a271d8
Source of Spectrum B-31-1974-0
Synonyms 1-(Phenylthio)heptan-2-one 1-(Phenylthio)-2-heptanone
Wiley ID 1222470