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dibenzylmalonic acid

View entire compound with spectra: 2 NMR, 1 FTIR, and 3 MS (GC)

dibenzylmalonic acid
SpectraBase Compound ID B58r3H2Avc5
InChI InChI=1S/C17H16O4/c18-15(19)17(16(20)21,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,19)(H,20,21)
InChIKey YSZJTDBKDUARSQ-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 2g9G0xJECmr
Name 2,2-bis(phenylmethyl)propanedioic acid
Alternate Name(s) Dibenzylmalonic acid 2,2-Dibenzylmalonic acid 2,2-Dibenzylpropanedioic acid
CAS Registry Number 4372-32-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O4
InChI InChI=1S/C17H16O4/c18-15(19)17(16(20)21,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,19)(H,20,21)
InChIKey YSZJTDBKDUARSQ-UHFFFAOYSA-N
Molecular Weight 284.311 g/mol
SMILES OC(C(C(=O)O)(Cc1ccccc1)Cc1ccccc1)=O
SPLASH splash10-0006-8920000000-e2c8c64db02027a83c2b
Wiley ID 1478068