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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E2jDkeli19s
Name Octyl 3-(4-trifluoromethylphenyl)-4,5-dihydroisoxazole-4-methyl-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Literature Reference DOI 10.1039/c4ra15975f
Molecular Weight 385.427 g/mol
SMILES [C@@]1(C)([C@](C(=O)OCCCCCCCC)(ON=C1c1ccc(C(F)(F)F)cc1)[H])[H]
SPLASH splash10-01t9-2391000000-6ee5f43c470c07a4c29b
Source of Spectrum RSA-5-13120-6c
Synonyms (4R,5R)-octyl 4-methyl-3-(4-(trifluoromethyl)phenyl)-4,5-dihydroisoxazole-5-carboxylate
Wiley ID 1760238