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3,4-Dimethyl 1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-3,4-dicarboxylate

View entire compound with spectra: 1 NMR

3,4-Dimethyl 1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-3,4-dicarboxylate
SpectraBase Compound ID L7OGv2o0Pt6
InChI InChI=1S/C14H10F4N2O4/c1-23-12(21)9-10(13(22)24-2)19-20(11(9)14(16,17)18)8-5-3-7(15)4-6-8/h3-6H,1-2H3
InChIKey GCXBCEVTSGQWBF-UHFFFAOYSA-N
Mol Weight 346.24 g/mol
Molecular Formula C14H10F4N2O4
Exact Mass 346.057669 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LLLzm8OYaIi
Name 3,4-Dimethyl 1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-3,4-dicarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 346.057669458 u
Formula C14H10F4N2O4
InChI InChI=1S/C14H10F4N2O4/c1-23-12(21)9-10(13(22)24-2)19-20(11(9)14(16,17)18)8-5-3-7(15)4-6-8/h3-6H,1-2H3
InChIKey GCXBCEVTSGQWBF-UHFFFAOYSA-N
Molecular Weight 346.238 g/mol
SMILES C1(=C(C(C(OC)=O)=NN1C1=CC=C(C=C1)F)C(OC)=O)C(F)(F)F