Benzoic acid, 4,4'-[(2-oxo-1,3-cyclopentanediylidene)dimethylidyne]bis-, dimethyl ester

SpectraBase Compound ID	JHCxuc8fncj
InChI	InChI=1S/C23H20O5/c1-27-22(25)17-7-3-15(4-8-17)13-19-11-12-20(21(19)24)14-16-5-9-18(10-6-16)23(26)28-2/h3-10,13-14H,11-12H2,1-2H3/b19-13+,20-14+
InChIKey	GDADPSUMDWPNMY-IWGRKNQJSA-N Google Search
Mol Weight	376.41 g/mol
Molecular Formula	C23H20O5
Exact Mass	376.131074 g/mol

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SpectraBase Spectrum ID	4wiknsDsnlQ
Name	Benzoic acid, 4,4'-[(2-oxo-1,3-cyclopentanediylidene)dimethylidyne]bis-, dimethyl ester
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	376.131073739 u
Formula	C23H20O5
InChI	InChI=1S/C23H20O5/c1-27-22(25)17-7-3-15(4-8-17)13-19-11-12-20(21(19)24)14-16-5-9-18(10-6-16)23(26)28-2/h3-10,13-14H,11-12H2,1-2H3/b19-13+,20-14+
InChIKey	GDADPSUMDWPNMY-IWGRKNQJSA-N
Molecular Weight	376.408 g/mol
SMILES	COC(=O)C1=CC=C(C=C1)\C=C/1CC\C(C1=O)=C/C1=CC=C(C=C1)C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR)	0.892252