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4-(Anilinomethylene)-1-phenyl-3-(trifluoromethyl)-2-pyrazolin-5-one

View entire compound with spectra: 3 NMR, and 1 FTIR

4-(Anilinomethylene)-1-phenyl-3-(trifluoromethyl)-2-pyrazolin-5-one
SpectraBase Compound ID 4HY5MI3QCBf
InChI InChI=1S/C17H12F3N3O/c18-17(19,20)15-14(11-21-12-7-3-1-4-8-12)16(24)23(22-15)13-9-5-2-6-10-13/h1-11,21H
InChIKey VHNVXCQMNJXHGT-UHFFFAOYSA-N
Mol Weight 331.3 g/mol
Molecular Formula C17H12F3N3O
Exact Mass 331.093247 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IYeI7EnfSxX
Name 4-(Anilinomethylene)-1-phenyl-3-(trifluoromethyl)-2-pyrazolin-5-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.093246506 u
Formula C17H12F3N3O
InChI InChI=1S/C17H12F3N3O/c18-17(19,20)15-14(11-21-12-7-3-1-4-8-12)16(24)23(22-15)13-9-5-2-6-10-13/h1-11,21H
InChIKey VHNVXCQMNJXHGT-UHFFFAOYSA-N
Molecular Weight 331.298 g/mol
SMILES N(C=1C=CC=CC1)C=C1C(=NN(C1=O)C=1C=CC=CC1)C(F)(F)F