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1-Isopropyl-2-oxo-3-(phenylsulfanyl)propyl acetate
SpectraBase Compound ID BqFI21MmQPk
InChI InChI=1S/C14H18O3S/c1-10(2)14(17-11(3)15)13(16)9-18-12-7-5-4-6-8-12/h4-8,10,14H,9H2,1-3H3
InChIKey AIBVHIOWSQBQQE-UHFFFAOYSA-N
Mol Weight 266.35 g/mol
Molecular Formula C14H18O3S
Exact Mass 266.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 14EmxamtUaD
Name 1-Isopropyl-2-oxo-3-(phenylsulfanyl)propyl acetate
CAS Registry Number 69798-61-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O3S
InChI InChI=1S/C14H18O3S/c1-10(2)14(17-11(3)15)13(16)9-18-12-7-5-4-6-8-12/h4-8,10,14H,9H2,1-3H3
InChIKey AIBVHIOWSQBQQE-UHFFFAOYSA-N
Molecular Weight 266.355 g/mol
SMILES CC(C)C(C(CSc1ccccc1)=O)OC(C)=O
SPLASH splash10-0006-9400000000-3e3fb1bafd37c0fef37a
Source of Spectrum W5-1989-9481-1
Synonyms (4-methyl-2-oxidanylidene-1-phenylsulfanyl-pentan-3-yl) ethanoate (4-methyl-2-oxo-1-phenylsulfanylpentan-3-yl) acetate 1-Acetoxy-1-(isopropyl)-3-phenylthio-2-propanone Acetic acid [4-methyl-2-oxo-1-(phenylthio)pentan-3-yl] ester (1-isopropyl-2-oxo-3-phenylsulfanyl-propyl) acetate
Wiley ID 1269808