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6-(Phenylthio)hexan-2-one
SpectraBase Compound ID 7oIt0Nsh00E
InChI InChI=1S/C12H16OS/c1-11(13)7-5-6-10-14-12-8-3-2-4-9-12/h2-4,8-9H,5-7,10H2,1H3
InChIKey SPSNHEYYGXJWQN-UHFFFAOYSA-N
Mol Weight 208.32 g/mol
Molecular Formula C12H16OS
Exact Mass 208.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CAXAAOgMOcO
Name 6-(Phenylthio)hexan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16OS
InChI InChI=1S/C12H16OS/c1-11(13)7-5-6-10-14-12-8-3-2-4-9-12/h2-4,8-9H,5-7,10H2,1H3
InChIKey SPSNHEYYGXJWQN-UHFFFAOYSA-N
Molecular Weight 208.319 g/mol
SMILES CC(CCCCSc1ccccc1)=O
SPLASH splash10-0a4j-9250000000-aebcf346e7d1b08b40c4
Source of Spectrum F-53-9492-4
Synonyms 6-Phenylsulfanylhexan-2-one
Wiley ID 802890