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Methyl 3-(4-trifluoromethylphenyl)-4,5-dihydroisoxazole-5-(tert-butyl)-4-carboxylate
SpectraBase Compound ID ApsHbFliRyH
InChI InChI=1S/C16H18F3NO3/c1-15(2,3)13-11(14(21)22-4)12(20-23-13)9-5-7-10(8-6-9)16(17,18)19/h5-8,11,13H,1-4H3/t11-,13-/m1/s1
InChIKey ORRRSJZVCOBHSA-DGCLKSJQSA-N
Mol Weight 329.32 g/mol
Molecular Formula C16H18F3NO3
Exact Mass 329.123878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 34FcEo7EOcm
Name Methyl 3-(4-trifluoromethylphenyl)-4,5-dihydroisoxazole-5-(tert-butyl)-4-carboxylate
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Formula C16H18F3NO3
InChI InChI=1S/C16H18F3NO3/c1-15(2,3)13-11(14(21)22-4)12(20-23-13)9-5-7-10(8-6-9)16(17,18)19/h5-8,11,13H,1-4H3/t11-,13-/m1/s1
InChIKey ORRRSJZVCOBHSA-DGCLKSJQSA-N
Literature Reference DOI 10.1039/c4ra15975f
Molecular Weight 329.319 g/mol
SMILES [C@@]1(C(c2ccc(C(F)(F)F)cc2)=NO[C@]1(C(C)(C)C)[H])(C(OC)=O)[H]
SPLASH splash10-0bt9-9273000000-826ed1f5e0d9c5139b0f
Source of Spectrum RSA-5-13121-5h
Synonyms (4R,5R)-methyl 5-(tert-butyl)-3-(4-(trifluoromethyl)phenyl)-4,5-dihydroisoxazole-4-carboxylate
Wiley ID 1760234