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2-(Phenylsulfanyl)-3-hexanone
SpectraBase Compound ID 8Zc0FQBa01F
InChI InChI=1S/C12H16OS/c1-3-7-12(13)10(2)14-11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3
InChIKey AZTNSIYZRGNXJX-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 GdHzIdZVT33
Name 2-(Phenylsulfanyl)-3-hexanone
CAS Registry Number 66080-38-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16OS
InChI InChI=1S/C12H16OS/c1-3-7-12(13)10(2)14-11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3
InChIKey AZTNSIYZRGNXJX-UHFFFAOYSA-N
Molecular Weight 208.319 g/mol
SMILES C(Sc1ccccc1)(C(=O)CCC)C
SPLASH splash10-000i-0910000000-991430a43beeed9e94a6
Source of Spectrum KC-1979-1086-0
Synonyms 2-(Phenylthio)-3-hexanone 2-(Phenylthio)hexan-3-one 2-Phenylsulfanylhexan-3-one
Wiley ID 1206715