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2,4-Dibenzoylpentanedioic acid, dimethyl ester
SpectraBase Compound ID KlyqE6HFzKC
InChI InChI=1S/C21H20O6/c1-26-20(24)16(18(22)14-9-5-3-6-10-14)13-17(21(25)27-2)19(23)15-11-7-4-8-12-15/h3-12,16-17H,13H2,1-2H3
InChIKey IHUOENDYHYLJTD-UHFFFAOYSA-N
Mol Weight 368.39 g/mol
Molecular Formula C21H20O6
Exact Mass 368.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2LUeMRApjwP
Name 2,4-Dibenzoylpentanedioic acid, dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O6
InChI InChI=1S/C21H20O6/c1-26-20(24)16(18(22)14-9-5-3-6-10-14)13-17(21(25)27-2)19(23)15-11-7-4-8-12-15/h3-12,16-17H,13H2,1-2H3
InChIKey IHUOENDYHYLJTD-UHFFFAOYSA-N
Molecular Weight 368.385 g/mol
SMILES c1(ccccc1)C(C(CC(C(OC)=O)C(=O)c1ccccc1)C(=O)OC)=O
SPLASH splash10-0a4i-4900000000-469c410e906735ef2ef2
Source of Spectrum NP-13-4542-0
Synonyms 2,4-Dibenzoylpentanedioic acid dimethyl ester Dimethyl 2,4-dibenzoylpentanedioate Dimethyl 2,4-bis(phenylcarbonyl)pentanedioate
Wiley ID 1111065