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2,5-bis(4-methylanilino)-3,6-dioxo-1-cyclohexa-1,4-dienecarboxylic acid methyl ester
SpectraBase Compound ID 6cIhMKnyOkS
InChI InChI=1S/C22H20N2O4/c1-13-4-8-15(9-5-13)23-17-12-18(25)20(19(21(17)26)22(27)28-3)24-16-10-6-14(2)7-11-16/h4-12,23-24H,1-3H3
InChIKey AZLNWPFKGNZFNY-UHFFFAOYSA-N
Mol Weight 376.41 g/mol
Molecular Formula C22H20N2O4
Exact Mass 376.142307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1r8RcCmh8dV
Name 2,5-bis(4-methylanilino)-3,6-dioxo-1-cyclohexa-1,4-dienecarboxylic acid methyl ester
Alternate Name(s) 3,6-Diketo-2,5-bis(p-toluidino)cyclohexa-1,4-diene-1-carboxylic acid methyl ester Methyl 2,5-bis(4-methylanilino)-3,6-dioxo-cyclohexa-1,4-diene-1-carboxylate Methyl 2,5-bis[(4-methylphenyl)amino]-3,6-bis(oxidanylidene)cyclohexa-1,4-diene-1-carboxylate
CAS Registry Number 101130-36-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20N2O4
InChI InChI=1S/C22H20N2O4/c1-13-4-8-15(9-5-13)23-17-12-18(25)20(19(21(17)26)22(27)28-3)24-16-10-6-14(2)7-11-16/h4-12,23-24H,1-3H3
InChIKey AZLNWPFKGNZFNY-UHFFFAOYSA-N
Molecular Weight 376.412 g/mol
SMILES N(C=1C(C(=C(C(C1)=O)Nc1ccc(cc1)C)C(=O)OC)=O)c1ccc(cc1)C
SPLASH splash10-054o-0509000000-601547b55bc80859b77d
Source of Spectrum Y-22-698-2
Wiley ID 1357815