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2-Pyrazolin-5-ol, 5-trifluoromethyl-3-methyl-1-(4-phenylbenzoyl)-

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

2-Pyrazolin-5-ol, 5-trifluoromethyl-3-methyl-1-(4-phenylbenzoyl)-
SpectraBase Compound ID 1UnI8IjZcre
InChI InChI=1S/C18H15F3N2O2/c1-12-11-17(25,18(19,20)21)23(22-12)16(24)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,25H,11H2,1H3
InChIKey PINLUPKLGWTQBN-UHFFFAOYSA-N
Mol Weight 348.33 g/mol
Molecular Formula C18H15F3N2O2
Exact Mass 348.108562 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L5kxn0Fq2TS
Name 2-Pyrazolin-5-ol, 5-trifluoromethyl-3-methyl-1-(4-phenylbenzoyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.108562218 u
Formula C18H15F3N2O2
InChI InChI=1S/C18H15F3N2O2/c1-12-11-17(25,18(19,20)21)23(22-12)16(24)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,25H,11H2,1H3
InChIKey PINLUPKLGWTQBN-UHFFFAOYSA-N
Molecular Weight 348.325 g/mol
SMILES C1(=CC=C(C=C1)C(N1C(CC(C)=N1)(C(F)(F)F)O)=O)C1=CC=CC=C1