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4-[(3-chloro-4,5-dimethoxyphenyl)(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one

View entire compound with spectra: 2 NMR

4-[(3-chloro-4,5-dimethoxyphenyl)(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID Di49HuIP91
InChI InChI=1S/C31H31ClN4O4/c1-19-26(30(37)35(33(19)3)22-13-9-7-10-14-22)28(21-17-24(32)29(40-6)25(18-21)39-5)27-20(2)34(4)36(31(27)38)23-15-11-8-12-16-23/h7-18,28H,1-6H3
InChIKey JQCNAEHZGWWWHT-UHFFFAOYSA-N
Mol Weight 559.07 g/mol
Molecular Formula C31H31ClN4O4
Exact Mass 558.203383 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID MYPNNsmaeM
Name 4-[(3-Chloro-4,5-dimethoxyphenyl)(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 558.203383190 u
Formula C31H31ClN4O4
InChI InChI=1S/C31H31ClN4O4/c1-19-26(30(37)35(33(19)3)22-13-9-7-10-14-22)28(21-17-24(32)29(40-6)25(18-21)39-5)27-20(2)34(4)36(31(27)38)23-15-11-8-12-16-23/h7-18,28H,1-6H3
InChIKey JQCNAEHZGWWWHT-UHFFFAOYSA-N
Molecular Weight 559.066 g/mol
SMILES C=1(C(N(C=2C=CC=CC2)N(C1C)C)=O)C(C=1C(N(C2=CC=CC=C2)N(C1C)C)=O)C1=CC(Cl)=C(C(=C1)OC)OC