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Benzyl 3-(4-trifluoromethylphenyl)-4,5-dihydroisoxazole-5-methyl-4-carboxylate
SpectraBase Compound ID EalJRgAVUFz
InChI InChI=1S/C19H16F3NO3/c1-12-16(18(24)25-11-13-5-3-2-4-6-13)17(23-26-12)14-7-9-15(10-8-14)19(20,21)22/h2-10,12,16H,11H2,1H3/t12-,16-/m0/s1
InChIKey SECCEOFFSPHXAZ-LRDDRELGSA-N
Mol Weight 363.34 g/mol
Molecular Formula C19H16F3NO3
Exact Mass 363.108228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHDGmP95kS
Name Benzyl 3-(4-trifluoromethylphenyl)-4,5-dihydroisoxazole-5-methyl-4-carboxylate
Alternate Name(s) (4R,5S)-benzyl 5-methyl-3-(4-(trifluoromethyl)phenyl)-4,5-dihydroisoxazole-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16F3NO3
InChI InChI=1S/C19H16F3NO3/c1-12-16(18(24)25-11-13-5-3-2-4-6-13)17(23-26-12)14-7-9-15(10-8-14)19(20,21)22/h2-10,12,16H,11H2,1H3/t12-,16-/m0/s1
InChIKey SECCEOFFSPHXAZ-LRDDRELGSA-N
Literature Reference DOI 10.1039/c4ra15975f
Molecular Weight 363.336 g/mol
SMILES [C@@]1(C(OCc2ccccc2)=O)([C@](C)(ON=C1c1ccc(C(F)(F)F)cc1)[H])[H]
SPLASH splash10-0006-9114000000-9aa1eb81de6b9dd9872a
Source of Spectrum RSA-5-13122-5m
Wiley ID 1760236