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1-(2-chlorobenzoyl)-3-propyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

View entire compound with spectra: 3 NMR

1-(2-chlorobenzoyl)-3-propyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
SpectraBase Compound ID 8wVA9FQulVG
InChI InChI=1S/C14H14ClF3N2O2/c1-2-5-9-8-13(22,14(16,17)18)20(19-9)12(21)10-6-3-4-7-11(10)15/h3-4,6-7,22H,2,5,8H2,1H3
InChIKey GVTXDSJXAWTBIF-UHFFFAOYSA-N
Mol Weight 334.73 g/mol
Molecular Formula C14H14ClF3N2O2
Exact Mass 334.06959 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F00G7hrSu0e
Name 1-(2-Chlorobenzoyl)-3-propyl-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 334.069589886 u
Formula C14H14ClF3N2O2
InChI InChI=1S/C14H14ClF3N2O2/c1-2-5-9-8-13(22,14(16,17)18)20(19-9)12(21)10-6-3-4-7-11(10)15/h3-4,6-7,22H,2,5,8H2,1H3
InChIKey GVTXDSJXAWTBIF-UHFFFAOYSA-N
Molecular Weight 334.726 g/mol
SMILES OC1(N(C(C=2C(Cl)=CC=CC2)=O)N=C(CCC)C1)C(F)(F)F