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4-{(E)-[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenyl 4-methoxybenzoate
SpectraBase Compound ID B3wagvh0d7g
InChI InChI=1S/C25H19N3O6/c1-16-23(24(29)27(26-16)19-7-9-20(10-8-19)28(31)32)15-17-3-11-22(12-4-17)34-25(30)18-5-13-21(33-2)14-6-18/h3-15H,1-2H3/b23-15+
InChIKey NCAUQWZFVSMEDR-HZHRSRAPSA-N
Mol Weight 457.44 g/mol
Molecular Formula C25H19N3O6
Exact Mass 457.127385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H5QkUYXYd0g
Name 4-{(E)-[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenyl 4-methoxybenzoate
Alternate Name(s) 4-Methoxybenzoic acid [4-[(E)-[3-methyl-1-(4-nitrophenyl)-5-oxo-4-pyrazolylidene]methyl]phenyl] ester [4-[(E)-[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]methyl]phenyl] 4-methoxybenzoate [4-[(E)-[3-methyl-1-(4-nitrophenyl)-5-oxo-pyrazol-4-ylidene]methyl]phenyl] 4-methoxybenzoate [4-[(E)-[3-methyl-1-(4-nitrophenyl)-5-oxidanylidene-pyrazol-4-ylidene]methyl]phenyl] 4-methoxybenzoate
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Formula C25H19N3O6
InChI InChI=1S/C25H19N3O6/c1-16-23(24(29)27(26-16)19-7-9-20(10-8-19)28(31)32)15-17-3-11-22(12-4-17)34-25(30)18-5-13-21(33-2)14-6-18/h3-15H,1-2H3/b23-15+
InChIKey NCAUQWZFVSMEDR-HZHRSRAPSA-N
Molecular Weight 457.442 g/mol
SMILES C1(\C(C(=NN1c1ccc(N(=O)=O)cc1)C)=C\c1ccc(OC(c2ccc(cc2)OC)=O)cc1)=O
SPLASH splash10-000i-1900000000-11367bce6f8f4715c511
Wiley ID 1437471