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3-phenyl-1-(5-phenyl-1,2,4-triazin-3-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
SpectraBase Compound ID C7iWvnuht1o
InChI InChI=1S/C19H14F3N5O/c20-19(21,22)18(28)11-15(13-7-3-1-4-8-13)26-27(18)17-24-16(12-23-25-17)14-9-5-2-6-10-14/h1-10,12,28H,11H2
InChIKey WMVVKJZPMQWIBW-UHFFFAOYSA-N
Mol Weight 385.35 g/mol
Molecular Formula C19H14F3N5O
Exact Mass 385.115045 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JArosmXKsXV
Name 3-Phenyl-1-(5-phenyl-1,2,4-triazin-3-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 385.115044579 u
Formula C19H14F3N5O
InChI InChI=1S/C19H14F3N5O/c20-19(21,22)18(28)11-15(13-7-3-1-4-8-13)26-27(18)17-24-16(12-23-25-17)14-9-5-2-6-10-14/h1-10,12,28H,11H2
InChIKey WMVVKJZPMQWIBW-UHFFFAOYSA-N
Molecular Weight 385.350 g/mol
SMILES OC1(N(N=C(C2=CC=CC=C2)C1)C1=NC(C=2C=CC=CC2)=CN=N1)C(F)(F)F