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Benzenepropanoic acid, 4-benzoyl-, methyl ester
SpectraBase Compound ID 6G04iGKcaWP
InChI InChI=1S/C17H16O3/c1-20-16(18)12-9-13-7-10-15(11-8-13)17(19)14-5-3-2-4-6-14/h2-8,10-11H,9,12H2,1H3
InChIKey IGOKSBYSORORAM-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 I3L0uriK6QW
Name Benzenepropanoic acid, 4-benzoyl-, methyl ester
Alternate Name(s) Methyl 3-(4-benzoylphenyl)propanoate 3-(4-benzoylphenyl)propanoic acid methyl ester 3-(4-benzoylphenyl)propionic acid methyl ester Methyl 3-[4-(phenylcarbonyl)phenyl]propanoate
CAS Registry Number 54411-77-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O3
InChI InChI=1S/C17H16O3/c1-20-16(18)12-9-13-7-10-15(11-8-13)17(19)14-5-3-2-4-6-14/h2-8,10-11H,9,12H2,1H3
InChIKey IGOKSBYSORORAM-UHFFFAOYSA-N
Molecular Weight 268.312 g/mol
SMILES COC(CCc1ccc(cc1)C(c1ccccc1)=O)=O
SPLASH splash10-0aou-3950000000-1cd2825689591fb39d82
Source of Spectrum SD-1981-0-0
Wiley ID 38785