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3-Acetoxy-1-(phenylthio)-2-decanone

View entire compound with spectra: 1 MS (GC)

3-Acetoxy-1-(phenylthio)-2-decanone
SpectraBase Compound ID 9McQgEzoAmU
InChI InChI=1S/C18H26O3S/c1-3-4-5-6-10-13-18(21-15(2)19)17(20)14-22-16-11-8-7-9-12-16/h7-9,11-12,18H,3-6,10,13-14H2,1-2H3
InChIKey ABUXSNHBYZSDKF-UHFFFAOYSA-N
Mol Weight 322.46 g/mol
Molecular Formula C18H26O3S
Exact Mass 322.160266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HQHSwP6ZG4D
Name 3-Acetoxy-1-(phenylthio)-2-decanone
Alternate Name(s) 1-[2-(phenylsulfanyl)acetyl]octyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O3S
InChI InChI=1S/C18H26O3S/c1-3-4-5-6-10-13-18(21-15(2)19)17(20)14-22-16-11-8-7-9-12-16/h7-9,11-12,18H,3-6,10,13-14H2,1-2H3
InChIKey ABUXSNHBYZSDKF-UHFFFAOYSA-N
Molecular Weight 322.463 g/mol
SMILES C(C(OC(=O)C)CCCCCCC)(CSc1ccccc1)=O
SPLASH splash10-0229-0933000000-8ed039c686200ffbb79f
Source of Spectrum J-58-4861-2
Wiley ID 1321691