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1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid, methyl ester

View entire compound with spectra: 1 NMR

1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid, methyl ester
SpectraBase Compound ID CYn0qT9XCyn
InChI InChI=1S/C12H8ClF3N2O2/c1-20-11(19)9-6-17-18(10(9)12(14,15)16)8-4-2-7(13)3-5-8/h2-6H,1H3
InChIKey ZFNUSNKOGKBYEH-UHFFFAOYSA-N
Mol Weight 304.66 g/mol
Molecular Formula C12H8ClF3N2O2
Exact Mass 304.02264 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2482NYIuTC2
Name 1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 304.022639693 u
Formula C12H8ClF3N2O2
InChI InChI=1S/C12H8ClF3N2O2/c1-20-11(19)9-6-17-18(10(9)12(14,15)16)8-4-2-7(13)3-5-8/h2-6H,1H3
InChIKey ZFNUSNKOGKBYEH-UHFFFAOYSA-N
Molecular Weight 304.656 g/mol
SMILES C(F)(F)(F)C=1N(N=CC1C(=O)OC)C1=CC=C(C=C1)Cl