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Benzoic acid, 4,4'-[(1,3-dioxo-1,3-propanediyl)diimino]bis-, diethyl ester
SpectraBase Compound ID 2X8lGKCBc5C
InChI InChI=1S/C21H22N2O6/c1-3-28-20(26)14-5-9-16(10-6-14)22-18(24)13-19(25)23-17-11-7-15(8-12-17)21(27)29-4-2/h5-12H,3-4,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKey BWCPUAMNSZPNLF-UHFFFAOYSA-N
Mol Weight 398.42 g/mol
Molecular Formula C21H22N2O6
Exact Mass 398.147786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4EMIJKtkdcL
Name Benzoic acid, 4,4'-[(1,3-dioxo-1,3-propanediyl)diimino]bis-, diethyl ester
Alternate Name(s) Diethyl 4,4'-(malonylbis(azanediyl))dibenzoate Diethyl 4,4'-[(1,3-dioxopropane-1,3-diyl)diimino]dibenzoate 4-[[3-(4-ethoxycarbonylanilino)-1,3-dioxopropyl]amino]benzoic acid ethyl ester Ethyl 4-[[3-(4-ethoxycarbonylanilino)-3-oxopropanoyl]amino]benzoate Ethyl 4-[[3-(4-ethoxycarbonylanilino)-3-oxo-propanoyl]amino]benzoate Ethyl 4-[[3-[(4-ethoxycarbonylphenyl)amino]-3-oxidanylidene-propanoyl]amino]benzoate
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Formula C21H22N2O6
InChI InChI=1S/C21H22N2O6/c1-3-28-20(26)14-5-9-16(10-6-14)22-18(24)13-19(25)23-17-11-7-15(8-12-17)21(27)29-4-2/h5-12H,3-4,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKey BWCPUAMNSZPNLF-UHFFFAOYSA-N
Molecular Weight 398.415 g/mol
SMILES N(c1ccc(C(OCC)=O)cc1)C(CC(=O)Nc1ccc(cc1)C(=O)OCC)=O
SPLASH splash10-00xr-5911000000-8775a9e3f0894358fb2a
Source of Spectrum JX-2015-3-1971
Wiley ID 1725430