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Ethyl 5-(3-chlorophenyl)-1-phenyl-1H-pyrazole-4-carboxylate

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

Ethyl 5-(3-chlorophenyl)-1-phenyl-1H-pyrazole-4-carboxylate
SpectraBase Compound ID BparGB0VhAv
InChI InChI=1S/C18H15ClN2O2/c1-2-23-18(22)16-12-20-21(15-9-4-3-5-10-15)17(16)13-7-6-8-14(19)11-13/h3-12H,2H2,1H3
InChIKey KRSDVKWWWJKVDZ-UHFFFAOYSA-N
Mol Weight 326.78 g/mol
Molecular Formula C18H15ClN2O2
Exact Mass 326.082205 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6QXw1ZD0yEp
Name Ethyl 5-(3-chlorophenyl)-1-phenyl-1H-pyrazole-4-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 326.082205429 u
Formula C18H15ClN2O2
InChI InChI=1S/C18H15ClN2O2/c1-2-23-18(22)16-12-20-21(15-9-4-3-5-10-15)17(16)13-7-6-8-14(19)11-13/h3-12H,2H2,1H3
InChIKey KRSDVKWWWJKVDZ-UHFFFAOYSA-N
Molecular Weight 326.783 g/mol
SMILES C1(=C(N(C=2C=CC=CC2)N=C1)C=1C=C(Cl)C=CC1)C(=O)OCC