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N-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-diphenyl-1H-pyrazole-4-carboxamide
SpectraBase Compound ID 9L3DdIp4LQJ
InChI InChI=1S/C24H20ClN3O2/c1-16-22(24(29)26-18-13-14-21(30-2)20(25)15-18)23(17-9-5-3-6-10-17)27-28(16)19-11-7-4-8-12-19/h3-15H,1-2H3,(H,26,29)
InChIKey IDRJCFKISZYZQS-UHFFFAOYSA-N
Mol Weight 417.9 g/mol
Molecular Formula C24H20ClN3O2
Exact Mass 417.124405 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hxja0TKiFNi
Name N-(3-Chloro-4-methoxyphenyl)-5-methyl-1,3-diphenyl-1H-pyrazole-4-carboxamide
Comments Computed using HOSE algorithm
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Exact Mass 417.124404594 u
Formula C24H20ClN3O2
InChI InChI=1S/C24H20ClN3O2/c1-16-22(24(29)26-18-13-14-21(30-2)20(25)15-18)23(17-9-5-3-6-10-17)27-28(16)19-11-7-4-8-12-19/h3-15H,1-2H3,(H,26,29)
InChIKey IDRJCFKISZYZQS-UHFFFAOYSA-N
Molecular Weight 417.896 g/mol
SMILES N(C(C1=C(N(C=2C=CC=CC2)N=C1C1=CC=CC=C1)C)=O)C=1C=C(Cl)C(=CC1)OC