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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
Mol Weight 376.41 g/mol
Molecular Formula C23H20O5
Exact Mass 376.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IVgbJD1jfKu
Name Benzoic acid, 4,4'-[(2-oxo-1,3-cyclopentanediylidene)dimethylidyne]bis-, dimethyl ester
Alternate Name(s) Dimethyl 4,4'-((1E,1'E)-(2-oxocyclopentane-1,3-diylidene)bis(methanylylidene))dibenzoate 4-[(E)-[(3E)-3-[(4-methoxycarbonylphenyl)methylidene]-2-oxocyclopentylidene]methyl]benzoic acid methyl ester Methyl 4-[(E)-[(3E)-3-[(4-methoxycarbonylphenyl)methylidene]-2-oxocyclopentylidene]methyl]benzoate Methyl 4-[(E)-[(3E)-3-[(4-methoxycarbonylphenyl)methylene]-2-oxo-cyclopentylidene]methyl]benzoate Methyl 4-[(E)-[(3E)-3-[(4-methoxycarbonylphenyl)methylidene]-2-oxidanylidene-cyclopentylidene]methyl]benzoate
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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)c1ccc(\C=C/2CC\C(=C/c3ccc(cc3)C(=O)OC)C2=O)cc1
SPLASH splash10-016r-0319000000-0bd37928c5a0c96f4f70
Source of Spectrum JX-2015-3-1611
Wiley ID 1725088