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Diethyl 5-(4-chlorophenyl)-1-phenyl-1H-pyrazole-3,4-dicarboxylate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Diethyl 5-(4-chlorophenyl)-1-phenyl-1H-pyrazole-3,4-dicarboxylate
SpectraBase Compound ID BVfCKA9fj8S
InChI InChI=1S/C21H19ClN2O4/c1-3-27-20(25)17-18(21(26)28-4-2)23-24(16-8-6-5-7-9-16)19(17)14-10-12-15(22)13-11-14/h5-13H,3-4H2,1-2H3
InChIKey YHCMBSLNGKICKJ-UHFFFAOYSA-N
Mol Weight 398.85 g/mol
Molecular Formula C21H19ClN2O4
Exact Mass 398.103335 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BbETQ0dYsUD
Name Diethyl 5-(4-chlorophenyl)-1-phenyl-1H-pyrazole-3,4-dicarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.103334796 u
Formula C21H19ClN2O4
InChI InChI=1S/C21H19ClN2O4/c1-3-27-20(25)17-18(21(26)28-4-2)23-24(16-8-6-5-7-9-16)19(17)14-10-12-15(22)13-11-14/h5-13H,3-4H2,1-2H3
InChIKey YHCMBSLNGKICKJ-UHFFFAOYSA-N
Molecular Weight 398.846 g/mol
SMILES C=1(C(=NN(C1C=1C=CC(=CC1)Cl)C1=CC=CC=C1)C(=O)OCC)C(=O)OCC