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Methyl 3-(4-trifluoromethylphenyl)-4,5-dihydroisoxazole-4-isopropyl-5-carboxylate
SpectraBase Compound ID 5YAdCrWnR93
InChI InChI=1S/C15H16F3NO3/c1-8(2)11-12(19-22-13(11)14(20)21-3)9-4-6-10(7-5-9)15(16,17)18/h4-8,11,13H,1-3H3/t11-,13-/m1/s1
InChIKey BFEIXNSNRRYVPZ-DGCLKSJQSA-N
Mol Weight 315.29 g/mol
Molecular Formula C15H16F3NO3
Exact Mass 315.108228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LaePKKU6V3A
Name Methyl 3-(4-trifluoromethylphenyl)-4,5-dihydroisoxazole-4-isopropyl-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16F3NO3
InChI InChI=1S/C15H16F3NO3/c1-8(2)11-12(19-22-13(11)14(20)21-3)9-4-6-10(7-5-9)15(16,17)18/h4-8,11,13H,1-3H3/t11-,13-/m1/s1
InChIKey BFEIXNSNRRYVPZ-DGCLKSJQSA-N
Literature Reference DOI 10.1039/c4ra15975f
Molecular Weight 315.292 g/mol
SMILES [C@@]1(C(c2ccc(C(F)(F)F)cc2)=NO[C@]1(C(=O)OC)[H])(C(C)C)[H]
SPLASH splash10-03di-0291000000-c445e0d390f948530c4a
Source of Spectrum RSA-5-13121-6g
Synonyms (4R,5R)-methyl 4-isopropyl-3-(4-(trifluoromethyl)phenyl)-4,5-dihydroisoxazole-5-carboxylate
Wiley ID 1760240