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Ethyl 4-isopropyl-1,5-diphenyl-1H-pyrazole-3-carboxylate

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

Ethyl 4-isopropyl-1,5-diphenyl-1H-pyrazole-3-carboxylate
SpectraBase Compound ID GkF3j4UtVra
InChI InChI=1S/C21H22N2O2/c1-4-25-21(24)19-18(15(2)3)20(16-11-7-5-8-12-16)23(22-19)17-13-9-6-10-14-17/h5-15H,4H2,1-3H3
InChIKey GCFFGNLNKOJITB-UHFFFAOYSA-N
Mol Weight 334.42 g/mol
Molecular Formula C21H22N2O2
Exact Mass 334.168128 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3jlQMv5XcTr
Name Ethyl 4-isopropyl-1,5-diphenyl-1H-pyrazole-3-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 334.168127954 u
Formula C21H22N2O2
InChI InChI=1S/C21H22N2O2/c1-4-25-21(24)19-18(15(2)3)20(16-11-7-5-8-12-16)23(22-19)17-13-9-6-10-14-17/h5-15H,4H2,1-3H3
InChIKey GCFFGNLNKOJITB-UHFFFAOYSA-N
Molecular Weight 334.419 g/mol
SMILES C=1(C(=C(C2=CC=CC=C2)N(N1)C=1C=CC=CC1)C(C)C)C(=O)OCC