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4-[[4-(benzyloxy)-3-chloro-5-methoxyphenyl](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-[[4-(benzyloxy)-3-chloro-5-methoxyphenyl](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 2VpYHv8CVcM
InChI InChI=1S/C37H35ClN4O4/c1-24-32(36(43)41(39(24)3)28-17-11-7-12-18-28)34(33-25(2)40(4)42(37(33)44)29-19-13-8-14-20-29)27-21-30(38)35(31(22-27)45-5)46-23-26-15-9-6-10-16-26/h6-22,34H,23H2,1-5H3
InChIKey PLJAOTOQHWMXJH-UHFFFAOYSA-N
Mol Weight 635.2 g/mol
Molecular Formula C37H35ClN4O4
Exact Mass 634.234683 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4FZcC7RNeqL
Name 4-[[4-(Benzyloxy)-3-chloro-5-methoxyphenyl](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 634.234683319 u
Formula C37H35ClN4O4
InChI InChI=1S/C37H35ClN4O4/c1-24-32(36(43)41(39(24)3)28-17-11-7-12-18-28)34(33-25(2)40(4)42(37(33)44)29-19-13-8-14-20-29)27-21-30(38)35(31(22-27)45-5)46-23-26-15-9-6-10-16-26/h6-22,34H,23H2,1-5H3
InChIKey PLJAOTOQHWMXJH-UHFFFAOYSA-N
Molecular Weight 635.164 g/mol
SMILES C=1(C(N(C=2C=CC=CC2)N(C1C)C)=O)C(C=1C(N(C=2C=CC=CC2)N(C1C)C)=O)C=1C=C(Cl)C(=C(C1)OC)OCC=1C=CC=CC1