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Ethyl 1,4-diphenyl-5-p-tolyl-1H-pyrazole-3-carboxylate

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

Ethyl 1,4-diphenyl-5-p-tolyl-1H-pyrazole-3-carboxylate
SpectraBase Compound ID InVpGt5LOD0
InChI InChI=1S/C25H22N2O2/c1-3-29-25(28)23-22(19-10-6-4-7-11-19)24(20-16-14-18(2)15-17-20)27(26-23)21-12-8-5-9-13-21/h4-17H,3H2,1-2H3
InChIKey LJUIGPUIWSXDFV-UHFFFAOYSA-N
Mol Weight 382.46 g/mol
Molecular Formula C25H22N2O2
Exact Mass 382.168128 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KgFII2XH7YW
Name Ethyl 1,4-diphenyl-5-p-tolyl-1H-pyrazole-3-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.168127954 u
Formula C25H22N2O2
InChI InChI=1S/C25H22N2O2/c1-3-29-25(28)23-22(19-10-6-4-7-11-19)24(20-16-14-18(2)15-17-20)27(26-23)21-12-8-5-9-13-21/h4-17H,3H2,1-2H3
InChIKey LJUIGPUIWSXDFV-UHFFFAOYSA-N
Molecular Weight 382.463 g/mol
SMILES C=1(C(=C(C=2C=CC(=CC2)C)N(N1)C=1C=CC=CC1)C=1C=CC=CC1)C(=O)OCC