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Methyl 3-(4-trifluoromethylphenyl)-4,5-dihydroisoxazole-4-(tert-butyl)-5-carboxylate
SpectraBase Compound ID EggfkYCWT9D
InChI InChI=1S/C16H18F3NO3/c1-15(2,3)11-12(20-23-13(11)14(21)22-4)9-5-7-10(8-6-9)16(17,18)19/h5-8,11,13H,1-4H3/t11-,13-/m1/s1
InChIKey KIKXBNWHWFJOJS-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 5QtmXa9Uru5
Name Methyl 3-(4-trifluoromethylphenyl)-4,5-dihydroisoxazole-4-(tert-butyl)-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18F3NO3
InChI InChI=1S/C16H18F3NO3/c1-15(2,3)11-12(20-23-13(11)14(21)22-4)9-5-7-10(8-6-9)16(17,18)19/h5-8,11,13H,1-4H3/t11-,13-/m1/s1
InChIKey KIKXBNWHWFJOJS-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(=O)OC)[H])(C(C)(C)C)[H]
SPLASH splash10-08fr-6192000000-870223e3e171f63b45ce
Source of Spectrum RSA-5-13121-6h
Synonyms (4R,5R)-methyl 4-(tert-butyl)-3-(4-(trifluoromethyl)phenyl)-4,5-dihydroisoxazole-5-carboxylate
Wiley ID 1760241