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3-[3-(Phenylthio)-1-acetoxypropyl]-2-cyclohexen-1-one
SpectraBase Compound ID I9PoKCtU64u
InChI InChI=1S/C17H20O3S/c1-13(18)20-17(14-6-5-7-15(19)12-14)10-11-21-16-8-3-2-4-9-16/h2-4,8-9,12,17H,5-7,10-11H2,1H3
InChIKey YQBWSAZHKJBCKA-UHFFFAOYSA-N
Mol Weight 304.4 g/mol
Molecular Formula C17H20O3S
Exact Mass 304.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 68FjMjamJEq
Name 3-[3-(Phenylthio)-1-acetoxypropyl]-2-cyclohexen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O3S
InChI InChI=1S/C17H20O3S/c1-13(18)20-17(14-6-5-7-15(19)12-14)10-11-21-16-8-3-2-4-9-16/h2-4,8-9,12,17H,5-7,10-11H2,1H3
InChIKey YQBWSAZHKJBCKA-UHFFFAOYSA-N
Molecular Weight 304.404 g/mol
SMILES C1(=CC(=O)CCC1)C(OC(=O)C)CCSc1ccccc1
SPLASH splash10-00di-0921000000-2b606cf7ec8035974d8e
Source of Spectrum J-58-597-20
Synonyms 1-(3-oxo-1-cyclohexen-1-yl)-3-(phenylsulfanyl)propyl acetate Acetic acid[1-(3-ketocyclohexen-1-yl)-3-(phenylthio)propyl]ester Acetic acid[1-(3-oxo-1-cyclohexenyl)-3-(phenylthio)propyl]ester [1-(3-oxidanylidenecyclohexen-1-yl)-3-phenylsulfanyl-propyl]ethanoate [1-(3-oxocyclohexen-1-yl)-3-phenylsulfanyl-propyl]acetate Acetic acid [1-(3-oxo-1-cyclohexenyl)-3-(phenylthio)propyl] ester [1-(3-oxocyclohexen-1-yl)-3-phenylsulfanylpropyl] acetate [1-(3-oxocyclohexen-1-yl)-3-phenylsulfanyl-propyl] acetate [1-(3-oxidanylidenecyclohexen-1-yl)-3-phenylsulfanyl-propyl] ethanoate
Wiley ID 1306440