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Methyl 5-methyl-1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
SpectraBase Compound ID ArmaD7q81wt
InChI InChI=1S/C13H11F3N2O2/c1-8-10(12(19)20-2)11(13(14,15)16)17-18(8)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKey QIFGAWWAAXRKGQ-UHFFFAOYSA-N
Mol Weight 284.24 g/mol
Molecular Formula C13H11F3N2O2
Exact Mass 284.077262 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6uJ6uAXBZvn
Name Methyl 5-methyl-1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 284.077262089 u
Formula C13H11F3N2O2
InChI InChI=1S/C13H11F3N2O2/c1-8-10(12(19)20-2)11(13(14,15)16)17-18(8)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKey QIFGAWWAAXRKGQ-UHFFFAOYSA-N
Molecular Weight 284.238 g/mol
SMILES C=1(N(N=C(C1C(OC)=O)C(F)(F)F)C=1C=CC=CC1)C