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3,6-Pyridazinedicarboxylic acid, 1,4-dihydro-4,4-di-1H-indol-3-yl-, dimethyl ester
SpectraBase Compound ID CcqXm4Ks607
InChI InChI=1S/C24H20N4O4/c1-31-22(29)20-11-24(21(28-27-20)23(30)32-2,16-12-25-18-9-5-3-7-14(16)18)17-13-26-19-10-6-4-8-15(17)19/h3-13,25-27H,1-2H3
InChIKey ITKLBFJGWPMNAS-UHFFFAOYSA-N
Mol Weight 428.45 g/mol
Molecular Formula C24H20N4O4
Exact Mass 428.148455 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DTpaEN78ZIJ
Name 3,6-Pyridazinedicarboxylic acid, 1,4-dihydro-4,4-di-1H-indol-3-yl-, dimethyl ester
CAS Registry Number 112122-36-8
Comments Less than 3 mono-isotopic peaks
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Formula C24H20N4O4
InChI InChI=1S/C24H20N4O4/c1-31-22(29)20-11-24(21(28-27-20)23(30)32-2,16-12-25-18-9-5-3-7-14(16)18)17-13-26-19-10-6-4-8-15(17)19/h3-13,25-27H,1-2H3
InChIKey ITKLBFJGWPMNAS-UHFFFAOYSA-N
Molecular Weight 428.448 g/mol
SMILES N1N=C(C(c2c[nH]c3c2cccc3)(c2c[nH]c3c2cccc3)C=C1C(=O)OC)C(=O)OC
SPLASH splash10-0006-9000000000-0029f41e93be7eadac74
Source of Spectrum H-72-71-8
Synonyms Dimethyl 4,4-bis(indol-3-yl)-1,4-dihydropyridazine-3,6-dicarboxylate dimethyl 4,4-di(1H-indol-3-yl)-1,4-dihydro-3,6-pyridazinedicarboxylate
Wiley ID 1380710