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Octyl 3-(4-trifluoromethylphenyl)-4,5-dihydroisoxazole-4-methyl-5-carboxylate

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Octyl 3-(4-trifluoromethylphenyl)-4,5-dihydroisoxazole-4-methyl-5-carboxylate
SpectraBase Compound ID GAVHEHaEVtx
InChI InChI=1S/C20H26F3NO3/c1-3-4-5-6-7-8-13-26-19(25)18-14(2)17(24-27-18)15-9-11-16(12-10-15)20(21,22)23/h9-12,14,18H,3-8,13H2,1-2H3/t14-,18-/m1/s1
InChIKey JUZHOQQXLJAQIK-RDTXWAMCSA-N
Mol Weight 385.43 g/mol
Molecular Formula C20H26F3NO3
Exact Mass 385.186478 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DzaMUJq9aRe
Name Octyl 3-(4-trifluoromethylphenyl)-4,5-dihydroisoxazole-4-methyl-5-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 385.186478187 u
Formula C20H26F3NO3
InChI InChI=1S/C20H26F3NO3/c1-3-4-5-6-7-8-13-26-19(25)18-14(2)17(24-27-18)15-9-11-16(12-10-15)20(21,22)23/h9-12,14,18H,3-8,13H2,1-2H3/t14-,18-/m1/s1
InChIKey JUZHOQQXLJAQIK-RDTXWAMCSA-N
Molecular Weight 385.427 g/mol
SMILES [C@@]1(C)([C@](C(=O)OCCCCCCCC)(ON=C1C1=CC=C(C(F)(F)F)C=C1)[H])[H]