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4,4'-methylenedibenzoic acid, dimethyl ester

View entire compound with spectra: 2 NMR, 2 FTIR, and 2 MS (GC)

4,4'-methylenedibenzoic acid, dimethyl ester
SpectraBase Compound ID B4tQL6kSQzH
InChI InChI=1S/C17H16O4/c1-20-16(18)14-7-3-12(4-8-14)11-13-5-9-15(10-6-13)17(19)21-2/h3-10H,11H2,1-2H3
InChIKey FAFKIXPMYWNHGF-UHFFFAOYSA-N
Mol Weight 284.31 g/mol
Molecular Formula C17H16O4
Exact Mass 284.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 96d6lDoNshZ
Name Diphenylmethane-4,4'-dicarboxylic acid, dimethyl ester
Alternate Name(s) 4-(4-carbomethoxybenzyl)benzoic acid methyl ester 4-[(4-methoxycarbonylphenyl)methyl]benzoic acid methyl ester Methyl 4-[(4-methoxycarbonylphenyl)methyl]benzoate
CAS Registry Number 1092-70-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O4
InChI InChI=1S/C17H16O4/c1-20-16(18)14-7-3-12(4-8-14)11-13-5-9-15(10-6-13)17(19)21-2/h3-10H,11H2,1-2H3
InChIKey FAFKIXPMYWNHGF-UHFFFAOYSA-N
Molecular Weight 284.311 g/mol
SMILES C(=O)(c1ccc(cc1)Cc1ccc(cc1)C(=O)OC)OC
SPLASH splash10-0fw9-1590000000-dbacc1752a730fa4cfe9
Wiley ID 1476987