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3-Methyl-2-oxo-1-(phenylthio)butyl acetate
SpectraBase Compound ID Kw66e8ehUt2
InChI InChI=1S/C13H16O3S/c1-9(2)12(15)13(16-10(3)14)17-11-7-5-4-6-8-11/h4-9,13H,1-3H3
InChIKey UPYHHUUIOANGFE-UHFFFAOYSA-N
Mol Weight 252.33 g/mol
Molecular Formula C13H16O3S
Exact Mass 252.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 17cusEheS1m
Name 3-Methyl-2-oxo-1-(phenylthio)butyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3S
InChI InChI=1S/C13H16O3S/c1-9(2)12(15)13(16-10(3)14)17-11-7-5-4-6-8-11/h4-9,13H,1-3H3
InChIKey UPYHHUUIOANGFE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201000376
Molecular Weight 252.328 g/mol
SMILES C(C)(=O)OC(C(C(C)C)=O)Sc1ccccc1
SPLASH splash10-01q0-1910000000-bbcaa9399404b69141db
Source of Spectrum ASC-352-2955/SM3-1e
Wiley ID 1764073