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5-(4-Methoxy-3-nitrophenyl)-1-(4-methoxyphenyl)-4-methyl-3-phenyl-1H-pyrazole
SpectraBase Compound ID GaKSg7PLr5X
InChI InChI=1S/C24H21N3O4/c1-16-23(17-7-5-4-6-8-17)25-26(19-10-12-20(30-2)13-11-19)24(16)18-9-14-22(31-3)21(15-18)27(28)29/h4-15H,1-3H3
InChIKey CGVKWLBSGYRMRO-UHFFFAOYSA-N
Mol Weight 415.45 g/mol
Molecular Formula C24H21N3O4
Exact Mass 415.153206 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bse7E0XkZQq
Name 5-(4-Methoxy-3-nitrophenyl)-1-(4-methoxyphenyl)-4-methyl-3-phenyl-1H-pyrazole
Comments Computed using HOSE algorithm
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Exact Mass 415.153206164 u
Formula C24H21N3O4
InChI InChI=1S/C24H21N3O4/c1-16-23(17-7-5-4-6-8-17)25-26(19-10-12-20(30-2)13-11-19)24(16)18-9-14-22(31-3)21(15-18)27(28)29/h4-15H,1-3H3
InChIKey CGVKWLBSGYRMRO-UHFFFAOYSA-N
Molecular Weight 415.449 g/mol
SMILES C=1(N(N=C(C1C)C1=CC=CC=C1)C1=CC=C(C=C1)OC)C1=CC(=C(C=C1)OC)N(=O)=O