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3H-pyrazol-3-one, 2-(3,4-dimethylphenyl)-2,4-dihydro-5-methyl-4-[[[3-(trifluoromethyl)phenyl]amino]methylene]-, (4Z)-
SpectraBase Compound ID 7gdfsTkMemv
InChI InChI=1S/C20H18F3N3O/c1-12-7-8-17(9-13(12)2)26-19(27)18(14(3)25-26)11-24-16-6-4-5-15(10-16)20(21,22)23/h4-11,24H,1-3H3/b18-11-
InChIKey KIPBNONLWCCQOV-WQRHYEAKSA-N
Mol Weight 373.38 g/mol
Molecular Formula C20H18F3N3O
Exact Mass 373.140197 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LopdsNkdVYo
Name 3H-Pyrazol-3-one, 2-(3,4-dimethylphenyl)-2,4-dihydro-5-methyl-4-[[[3-(trifluoromethyl)phenyl]amino]methylene]-, (4Z)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.140196700 u
Formula C20H18F3N3O
InChI InChI=1S/C20H18F3N3O/c1-12-7-8-17(9-13(12)2)26-19(27)18(14(3)25-26)11-24-16-6-4-5-15(10-16)20(21,22)23/h4-11,24H,1-3H3/b18-11-
InChIKey KIPBNONLWCCQOV-WQRHYEAKSA-N
Molecular Weight 373.379 g/mol
SMILES N(\C=C/1C(N(N=C1C)C=1C=C(C)C(=CC1)C)=O)C=1C=C(C(F)(F)F)C=CC1