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

View entire compound with spectra: 3 NMR

1-(4-bromobenzoyl)-3-butyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
SpectraBase Compound ID Duj91cNRF5W
InChI InChI=1S/C15H16BrF3N2O2/c1-2-3-4-12-9-14(23,15(17,18)19)21(20-12)13(22)10-5-7-11(16)8-6-10/h5-8,23H,2-4,9H2,1H3
InChIKey WMCOPIUGIDPNND-UHFFFAOYSA-N
Mol Weight 393.2 g/mol
Molecular Formula C15H16BrF3N2O2
Exact Mass 392.034725 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6gGmZc3406R
Name 1-(4-Bromobenzoyl)-3-butyl-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 392.034725250 u
Formula C15H16BrF3N2O2
InChI InChI=1S/C15H16BrF3N2O2/c1-2-3-4-12-9-14(23,15(17,18)19)21(20-12)13(22)10-5-7-11(16)8-6-10/h5-8,23H,2-4,9H2,1H3
InChIKey WMCOPIUGIDPNND-UHFFFAOYSA-N
Molecular Weight 393.204 g/mol
SMILES OC1(N(N=C(CCCC)C1)C(C1=CC=C(C=C1)Br)=O)C(F)(F)F