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Ethyl 3-(4-trifluoromethylphenyl)-4,5-dihydroisoxazole-4-decyl-5-carboxylate
SpectraBase Compound ID 9JnYI6GFZSw
InChI InChI=1S/C23H32F3NO3/c1-3-5-6-7-8-9-10-11-12-19-20(27-30-21(19)22(28)29-4-2)17-13-15-18(16-14-17)23(24,25)26/h13-16,19,21H,3-12H2,1-2H3/t19-,21-/m1/s1
InChIKey IAAUCMJJXFCSRY-TZIWHRDSSA-N
Mol Weight 427.5 g/mol
Molecular Formula C23H32F3NO3
Exact Mass 427.233428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ebto8YGf9yO
Name Ethyl 3-(4-trifluoromethylphenyl)-4,5-dihydroisoxazole-4-decyl-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32F3NO3
InChI InChI=1S/C23H32F3NO3/c1-3-5-6-7-8-9-10-11-12-19-20(27-30-21(19)22(28)29-4-2)17-13-15-18(16-14-17)23(24,25)26/h13-16,19,21H,3-12H2,1-2H3/t19-,21-/m1/s1
InChIKey IAAUCMJJXFCSRY-TZIWHRDSSA-N
Literature Reference DOI 10.1039/c4ra15975f
Molecular Weight 427.508 g/mol
SMILES [C@@]1(CCCCCCCCCC)([C@](C(=O)OCC)(ON=C1c1ccc(C(F)(F)F)cc1)[H])[H]
SPLASH splash10-0udi-1009100000-f8ad8c4bb1f3a19633be
Source of Spectrum RSA-5-13120-6e
Synonyms (4R,5R)-ethyl 4-decyl-3-(4-(trifluoromethyl)phenyl)-4,5-dihydroisoxazole-5-carboxylate
Wiley ID 1760239