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corr1]Ethyl 1-(p-chlorophenyl)-4-methyl-5,7-dioxo-6-phenyl-4,4a,5,6,7,7a,-hexahydro-1H-pyrrolo[3,4-c]pyridazine-3-carboxylate
SpectraBase Compound ID G16TvUB1CUF
InChI InChI=1S/C22H20ClN3O4/c1-3-30-22(29)18-13(2)17-19(26(24-18)16-11-9-14(23)10-12-16)21(28)25(20(17)27)15-7-5-4-6-8-15/h4-13,17,19H,3H2,1-2H3
InChIKey DFNJQTHZKXKXIC-UHFFFAOYSA-N
Mol Weight 425.87 g/mol
Molecular Formula C22H20ClN3O4
Exact Mass 425.114234 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KXp6PU8uqHy
Name corr1]Ethyl 1-(p-chlorophenyl)-4-methyl-5,7-dioxo-6-phenyl-4,4a,5,6,7,7a,-hexahydro-1H-pyrrolo[3,4-c]pyridazine-3-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C22H20ClN3O4
InChI InChI=1S/C22H20ClN3O4/c1-3-30-22(29)18-13(2)17-19(26(24-18)16-11-9-14(23)10-12-16)21(28)25(20(17)27)15-7-5-4-6-8-15/h4-13,17,19H,3H2,1-2H3
InChIKey DFNJQTHZKXKXIC-UHFFFAOYSA-N
Molecular Weight 425.872 g/mol
SMILES C12N(N=C(C(C2C(=O)N(C1=O)c1ccccc1)C)C(=O)OCC)c1ccc(cc1)Cl
SPLASH splash10-004i-0000900000-8c2aa1964388c0278dce
Source of Spectrum F-67-1306-23f
Wiley ID 1685799