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4-[(Z)-1,3,4-tris(4-methoxycarbonylphenyl)-1,4-dioxobut-2-en-2-yl]benzoic acid methyl ester
SpectraBase Compound ID IIE9Rq6ImdG
InChI InChI=1S/C36H28O10/c1-43-33(39)25-13-5-21(6-14-25)29(31(37)23-9-17-27(18-10-23)35(41)45-3)30(22-7-15-26(16-8-22)34(40)44-2)32(38)24-11-19-28(20-12-24)36(42)46-4/h5-20H,1-4H3/b30-29-
InChIKey WSMNUEXYXPVMBJ-FLWNBWAVSA-N
Mol Weight 620.6 g/mol
Molecular Formula C36H28O10
Exact Mass 620.168247 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ECbu2dhX7Im
Name 4-[(Z)-1,3,4-tris(4-methoxycarbonylphenyl)-1,4-dioxobut-2-en-2-yl]benzoic acid methyl ester
Alternate Name(s) 4-[(Z)-1-(4-carbomethoxybenzoyl)-2,3-bis(4-carbomethoxyphenyl)-3-keto-prop-1-enyl]benzoic acid methyl ester Methyl 4-[(Z)-1,3,4-tris(4-methoxycarbonylphenyl)-1,4-bis(oxidanylidene)but-2-en-2-yl]benzoate Methyl 4-[(Z)-1,3,4-tris(4-methoxycarbonylphenyl)-1,4-dioxobut-2-en-2-yl]benzoate Methyl 4-[(Z)-1-(4-methoxycarbonylbenzoyl)-2,3-bis(4-methoxycarbonylphenyl)-3-oxo-prop-1-enyl]benzoate
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Formula C36H28O10
InChI InChI=1S/C36H28O10/c1-43-33(39)25-13-5-21(6-14-25)29(31(37)23-9-17-27(18-10-23)35(41)45-3)30(22-7-15-26(16-8-22)34(40)44-2)32(38)24-11-19-28(20-12-24)36(42)46-4/h5-20H,1-4H3/b30-29-
InChIKey WSMNUEXYXPVMBJ-FLWNBWAVSA-N
Molecular Weight 620.610 g/mol
SMILES C(\C(=C/(C(c1ccc(C(=O)OC)cc1)=O)c1ccc(C(=O)OC)cc1)c1ccc(C(=O)OC)cc1)(c1ccc(C(=O)OC)cc1)=O
SPLASH splash10-03dr-0900110000-249f910cf77a51865ca2
Source of Spectrum O1-36-1548-2
Wiley ID 819906