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3-butyl-1-(4-methoxybenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

View entire compound with spectra: 2 NMR

3-butyl-1-(4-methoxybenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
SpectraBase Compound ID FS9BpLhgnjK
InChI InChI=1S/C16H19F3N2O3/c1-3-4-5-12-10-15(23,16(17,18)19)21(20-12)14(22)11-6-8-13(24-2)9-7-11/h6-9,23H,3-5,10H2,1-2H3
InChIKey CHSFOOZWPNMOOD-UHFFFAOYSA-N
Mol Weight 344.33 g/mol
Molecular Formula C16H19F3N2O3
Exact Mass 344.134777 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3YhQ9Z0yaux
Name 3-Butyl-1-(4-methoxybenzoyl)-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 344.134776966 u
Formula C16H19F3N2O3
InChI InChI=1S/C16H19F3N2O3/c1-3-4-5-12-10-15(23,16(17,18)19)21(20-12)14(22)11-6-8-13(24-2)9-7-11/h6-9,23H,3-5,10H2,1-2H3
InChIKey CHSFOOZWPNMOOD-UHFFFAOYSA-N
Molecular Weight 344.334 g/mol
SMILES OC1(N(N=C(CCCC)C1)C(C=1C=CC(=CC1)OC)=O)C(F)(F)F