For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Methyl 3-(4-trifluoromethylphenyl)-4,5-dihydroisoxazole-5-cyclohexyl-4-carboxylate
SpectraBase Compound ID 92mEMaIDHTw
InChI InChI=1S/C18H20F3NO3/c1-24-17(23)14-15(11-7-9-13(10-8-11)18(19,20)21)22-25-16(14)12-5-3-2-4-6-12/h7-10,12,14,16H,2-6H2,1H3/t14-,16+/m1/s1
InChIKey LAKKHTSJYULUEJ-ZBFHGGJFSA-N
Mol Weight 355.36 g/mol
Molecular Formula C18H20F3NO3
Exact Mass 355.139528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DxjeAC07Wk7
Name Methyl 3-(4-trifluoromethylphenyl)-4,5-dihydroisoxazole-5-cyclohexyl-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20F3NO3
InChI InChI=1S/C18H20F3NO3/c1-24-17(23)14-15(11-7-9-13(10-8-11)18(19,20)21)22-25-16(14)12-5-3-2-4-6-12/h7-10,12,14,16H,2-6H2,1H3/t14-,16+/m1/s1
InChIKey LAKKHTSJYULUEJ-ZBFHGGJFSA-N
Literature Reference DOI 10.1039/c4ra15975f
Molecular Weight 355.357 g/mol
SMILES [C@@]1(C(OC)=O)([C@](C2CCCCC2)(ON=C1c1ccc(C(F)(F)F)cc1)[H])[H]
SPLASH splash10-03di-3139000000-303165e58b7203022117
Source of Spectrum RSA-5-13121-5i
Synonyms (4R,5S)-methyl 5-cyclohexyl-3-(4-(trifluoromethyl)phenyl)-4,5-dihydroisoxazole-4-carboxylate
Wiley ID 1760235