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ethyl 3-hexyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carboxylate

View entire compound with spectra: 2 NMR, and 1 MS (GC)

ethyl 3-hexyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carboxylate
SpectraBase Compound ID IgX2jR3nuuM
InChI InChI=1S/C13H21F3N2O3/c1-3-5-6-7-8-10-9-12(20,13(14,15)16)18(17-10)11(19)21-4-2/h20H,3-9H2,1-2H3
InChIKey YNNYCZXAXMRRPR-UHFFFAOYSA-N
Mol Weight 310.32 g/mol
Molecular Formula C13H21F3N2O3
Exact Mass 310.150427 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7QzmvklObvH
Name 2-Pyrazoline-1-carboxylic acid, 5-trifluoromethyl-3-hexyl-5-hydroxy-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.150427030 u
Formula C13H21F3N2O3
InChI InChI=1S/C13H21F3N2O3/c1-3-5-6-7-8-10-9-12(20,13(14,15)16)18(17-10)11(19)21-4-2/h20H,3-9H2,1-2H3
InChIKey YNNYCZXAXMRRPR-UHFFFAOYSA-N
Molecular Weight 310.317 g/mol
SMILES CCCCCCC=1CC(N(C(=O)OCC)N1)(C(F)(F)F)O