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Methyl 5-methyl-1-phenyl-3-(3-(trifluoromethyl)phenyl)-1H-pyrazole-4-carboxylate

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

Methyl 5-methyl-1-phenyl-3-(3-(trifluoromethyl)phenyl)-1H-pyrazole-4-carboxylate
SpectraBase Compound ID 9CRLT7engoG
InChI InChI=1S/C19H15F3N2O2/c1-12-16(18(25)26-2)17(23-24(12)15-9-4-3-5-10-15)13-7-6-8-14(11-13)19(20,21)22/h3-11H,1-2H3
InChIKey CNFXRHCQOJSQAR-UHFFFAOYSA-N
Mol Weight 360.34 g/mol
Molecular Formula C19H15F3N2O2
Exact Mass 360.108562 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GF7PcMeg90r
Name Methyl 5-methyl-1-phenyl-3-(3-(trifluoromethyl)phenyl)-1H-pyrazole-4-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.108562218 u
Formula C19H15F3N2O2
InChI InChI=1S/C19H15F3N2O2/c1-12-16(18(25)26-2)17(23-24(12)15-9-4-3-5-10-15)13-7-6-8-14(11-13)19(20,21)22/h3-11H,1-2H3
InChIKey CNFXRHCQOJSQAR-UHFFFAOYSA-N
Molecular Weight 360.336 g/mol
SMILES C1(N2C(C)=C(C(OC)=O)C(=N2)C2=CC=CC(=C2)C(F)(F)F)=CC=CC=C1