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Methyl 3-(4-trifluoromethylphenyl)-4,5-dihydroisoxazole-5-isopropyl-4-carboxylate
SpectraBase Compound ID I0u0Ibioq3Y
InChI InChI=1S/C15H16F3NO3/c1-8(2)13-11(14(20)21-3)12(19-22-13)9-4-6-10(7-5-9)15(16,17)18/h4-8,11,13H,1-3H3/t11-,13+/m1/s1
InChIKey JEXFBOGNMHQAQB-YPMHNXCESA-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 6v2uUxxqxnI
Name Methyl 3-(4-trifluoromethylphenyl)-4,5-dihydroisoxazole-5-isopropyl-4-carboxylate
Alternate Name(s) (4R,5S)-methyl 5-isopropyl-3-(4-(trifluoromethyl)phenyl)-4,5-dihydroisoxazole-4-carboxylate
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Formula C15H16F3NO3
InChI InChI=1S/C15H16F3NO3/c1-8(2)13-11(14(20)21-3)12(19-22-13)9-4-6-10(7-5-9)15(16,17)18/h4-8,11,13H,1-3H3/t11-,13+/m1/s1
InChIKey JEXFBOGNMHQAQB-YPMHNXCESA-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(C)C)[H])(C(OC)=O)[H]
SPLASH splash10-03dm-8391000000-d480b74e0e3211a4ffc1
Source of Spectrum RSA-5-13120-5g
Wiley ID 1760233