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3-Acetoxymethyl-4-phenyl-2-butanone
SpectraBase Compound ID CdlDOtoVaoJ
InChI InChI=1S/C13H16O3/c1-10(14)13(9-16-11(2)15)8-12-6-4-3-5-7-12/h3-7,13H,8-9H2,1-2H3
InChIKey SETMTENFICSRAK-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DTklDjPJPeJ
Name 3-Acetoxymethyl-4-phenyl-2-butanone
Alternate Name(s) 2-Benzyl-3-oxobutyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-10(14)13(9-16-11(2)15)8-12-6-4-3-5-7-12/h3-7,13H,8-9H2,1-2H3
InChIKey SETMTENFICSRAK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201600601
Molecular Weight 220.268 g/mol
SMILES CC(C(Cc1ccccc1)COC(=O)C)=O
SPLASH splash10-014i-1900000000-3a633e3a00344103cdea
Source of Spectrum ASC-358-3566-9
Wiley ID 1803442