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1H-pyrazol-5-ol, 1-benzoyl-4,5-dihydro-3-pentyl-5-(trifluoromethyl)-

View entire compound with spectra: 2 NMR

1H-pyrazol-5-ol, 1-benzoyl-4,5-dihydro-3-pentyl-5-(trifluoromethyl)-
SpectraBase Compound ID 9JPs5roS4HI
InChI InChI=1S/C16H19F3N2O2/c1-2-3-5-10-13-11-15(23,16(17,18)19)21(20-13)14(22)12-8-6-4-7-9-12/h4,6-9,23H,2-3,5,10-11H2,1H3
InChIKey LMTMRGYRLVEEDR-UHFFFAOYSA-N
Mol Weight 328.34 g/mol
Molecular Formula C16H19F3N2O2
Exact Mass 328.139862 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CWx4B2v9MPE
Name 1H-Pyrazol-5-ol, 1-benzoyl-4,5-dihydro-3-pentyl-5-(trifluoromethyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.139862347 u
Formula C16H19F3N2O2
InChI InChI=1S/C16H19F3N2O2/c1-2-3-5-10-13-11-15(23,16(17,18)19)21(20-13)14(22)12-8-6-4-7-9-12/h4,6-9,23H,2-3,5,10-11H2,1H3
InChIKey LMTMRGYRLVEEDR-UHFFFAOYSA-N
Molecular Weight 328.335 g/mol
SMILES OC1(N(N=C(CCCCC)C1)C(=O)C1=CC=CC=C1)C(F)(F)F