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2-Pyrazoline, 5-hydroxy-3-methyl-5-trifluoromethyl-1-(2-isopropyl-5-methylphenoxyacetyl)-
SpectraBase Compound ID 3XHJ2QNVun
InChI InChI=1S/C17H21F3N2O3/c1-10(2)13-6-5-11(3)7-14(13)25-9-15(23)22-16(24,17(18,19)20)8-12(4)21-22/h5-7,10,24H,8-9H2,1-4H3
InChIKey VDALKOVJMWIAJK-UHFFFAOYSA-N
Mol Weight 358.36 g/mol
Molecular Formula C17H21F3N2O3
Exact Mass 358.150427 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HVdZM33sop4
Name 2-Pyrazoline, 5-hydroxy-3-methyl-5-trifluoromethyl-1-(2-isopropyl-5-methylphenoxyacetyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.150427030 u
Formula C17H21F3N2O3
InChI InChI=1S/C17H21F3N2O3/c1-10(2)13-6-5-11(3)7-14(13)25-9-15(23)22-16(24,17(18,19)20)8-12(4)21-22/h5-7,10,24H,8-9H2,1-4H3
InChIKey VDALKOVJMWIAJK-UHFFFAOYSA-N
Molecular Weight 358.361 g/mol
SMILES C1(=CC(C)=CC=C1C(C)C)OCC(N1N=C(CC1(C(F)(F)F)O)C)=O