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4-(4-Chlorophenyl)-2-(1-(4-chlorophenyl)-3-p-tolyl-1H-pyrazol- 4-yl)-1-(4-methoxyphenyl)butan-1,4-dione

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4-(4-Chlorophenyl)-2-(1-(4-chlorophenyl)-3-p-tolyl-1H-pyrazol- 4-yl)-1-(4-methoxyphenyl)butan-1,4-dione
SpectraBase Compound ID Hepf36H5Pz0
InChI InChI=1S/C33H26Cl2N2O3/c1-21-3-5-23(6-4-21)32-30(20-37(36-32)27-15-13-26(35)14-16-27)29(19-31(38)22-7-11-25(34)12-8-22)33(39)24-9-17-28(40-2)18-10-24/h3-18,20,29H,19H2,1-2H3
InChIKey IKVNLEBNTKKOOP-UHFFFAOYSA-N
Mol Weight 569.5 g/mol
Molecular Formula C33H26Cl2N2O3
Exact Mass 568.132048 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GgjYByFT7Um
Name 4-(4-Chlorophenyl)-2-(1-(4-chlorophenyl)-3-p-tolyl-1H-pyrazol- 4-yl)-1-(4-methoxyphenyl)butan-1,4-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 568.132048102 u
Formula C33H26Cl2N2O3
InChI InChI=1S/C33H26Cl2N2O3/c1-21-3-5-23(6-4-21)32-30(20-37(36-32)27-15-13-26(35)14-16-27)29(19-31(38)22-7-11-25(34)12-8-22)33(39)24-9-17-28(40-2)18-10-24/h3-18,20,29H,19H2,1-2H3
InChIKey IKVNLEBNTKKOOP-UHFFFAOYSA-N
Molecular Weight 569.488 g/mol
SMILES C(C(CC(=O)C=1C=CC(=CC1)Cl)C=1C(=NN(C1)C=1C=CC(=CC1)Cl)C=1C=CC(=CC1)C)(=O)C=1C=CC(=CC1)OC