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Benzoic acid 1-methyl-2-oxo-1-phenyl-propyl ester
SpectraBase Compound ID 4Ru18RA5qhE
InChI InChI=1S/C17H16O3/c1-13(18)17(2,15-11-7-4-8-12-15)20-16(19)14-9-5-3-6-10-14/h3-12H,1-2H3
InChIKey MDGZNIRLJLTMQA-UHFFFAOYSA-N
Mol Weight 268.31 g/mol
Molecular Formula C17H16O3
Exact Mass 268.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EeBGFPTPTqV
Name Benzoic acid 1-methyl-2-oxo-1-phenyl-propyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O3
InChI InChI=1S/C17H16O3/c1-13(18)17(2,15-11-7-4-8-12-15)20-16(19)14-9-5-3-6-10-14/h3-12H,1-2H3
InChIKey MDGZNIRLJLTMQA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200800355
Molecular Weight 268.312 g/mol
SMILES C(c1ccccc1)(=O)OC(c1ccccc1)(C)C(=O)C
SPLASH splash10-0a4i-4900000000-2551f78250ec29f53137
Source of Spectrum ASC-350-2414/SM17-5m
Synonyms 3-Oxo-2-phenylbutan-2-yl benzoate
Wiley ID 1765804