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

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

Diethyl 3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4,5-dicarboxylate
SpectraBase Compound ID DdvMvMQQDtr
InChI InChI=1S/C22H22N2O4/c1-4-27-21(25)18-19(16-13-11-15(3)12-14-16)23-24(17-9-7-6-8-10-17)20(18)22(26)28-5-2/h6-14H,4-5H2,1-3H3
InChIKey SLEKBFHZTYFXPM-UHFFFAOYSA-N
Mol Weight 378.43 g/mol
Molecular Formula C22H22N2O4
Exact Mass 378.157957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3jxvv0fEStw
Name Diethyl 3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4,5-dicarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 378.157957192 u
Formula C22H22N2O4
InChI InChI=1S/C22H22N2O4/c1-4-27-21(25)18-19(16-13-11-15(3)12-14-16)23-24(17-9-7-6-8-10-17)20(18)22(26)28-5-2/h6-14H,4-5H2,1-3H3
InChIKey SLEKBFHZTYFXPM-UHFFFAOYSA-N
Molecular Weight 378.428 g/mol
SMILES C=1(N(N=C(C1C(=O)OCC)C=1C=CC(=CC1)C)C=1C=CC=CC1)C(=O)OCC