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3-Hexanone, 4-(phenylthio)-
SpectraBase Compound ID 1BhyLDpLaGN
InChI InChI=1S/C12H16OS/c1-3-11(13)12(4-2)14-10-8-6-5-7-9-10/h5-9,12H,3-4H2,1-2H3
InChIKey HKJOUZGGWQTKRD-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 1gOynoi4uSf
Name 3-Hexanone, 4-(phenylthio)-
CAS Registry Number 57768-33-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16OS
InChI InChI=1S/C12H16OS/c1-3-11(13)12(4-2)14-10-8-6-5-7-9-10/h5-9,12H,3-4H2,1-2H3
InChIKey HKJOUZGGWQTKRD-UHFFFAOYSA-N
Molecular Weight 208.319 g/mol
SMILES C(Sc1ccccc1)(C(=O)CC)CC
SPLASH splash10-0udi-0920000000-3e1b64287ce50313110e
Source of Spectrum KC-1979-1086-0
Synonyms 4-(Phenylsulfanyl)-3-hexanone 4-(Phenylthio)-3-hexanone 4-(Phenylthio)hexan-3-one 4-Phenylsulfanylhexan-3-one
Wiley ID 1206716