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

*Links on SpectraBase are not permalinks.

(2S,5S,1R)-2-[1-(4-IODOPHENYL)-1-METHYLETHYL]-5-METHYLCYCLOHEXYL-4,4,4-TRIFLUORO-3-(4-METHOXYANILINO)-BUTANOATE;MAJOR-DIASTEREOMER

Compound with spectra: 2 NMR

(2S,5S,1R)-2-[1-(4-IODOPHENYL)-1-METHYLETHYL]-5-METHYLCYCLOHEXYL-4,4,4-TRIFLUORO-3-(4-METHOXYANILINO)-BUTANOATE;MAJOR-DIASTEREOMER
SpectraBase Compound ID 7H7fMTFP169
InChI InChI=1S/C27H33F3INO3/c1-17-5-14-22(26(2,3)18-6-8-19(31)9-7-18)23(15-17)35-25(33)16-24(27(28,29)30)32-20-10-12-21(34-4)13-11-20/h6-13,17,22-24,32H,5,14-16H2,1-4H3/t17-,22-,23-,24+/m1/s1
InChIKey NSEJMJSKNBRJBH-BMZZKGLRSA-N
Mol Weight 603.5 g/mol
Molecular Formula C27H33F3INO3
Exact Mass 603.145723 g/mol
Enantiomer InChIKey NSEJMJSKNBRJBH-OWYCYUENSA-N

View Spectrum of (2S,5S,1R)-2-[1-(4-IODOPHENYL)-1-METHYLETHYL]-5-METHYLCYCLOHEXYL-4,4,4-TRIFLUORO-3-(4-METHOXYANILINO)-BUTANOATE;MAJOR-DIASTEREOMER

19F NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

View Spectrum of (2S,5S,1R)-2-[1-(4-IODOPHENYL)-1-METHYLETHYL]-5-METHYLCYCLOHEXYL-4,4,4-TRIFLUORO-3-(4-METHOXYANILINO)-BUTANOATE;MAJOR-DIASTEREOMER

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
(2S,5S,1R)-5-METHYL-2-(1-METHYL-1-PHENYLETHYL)-CYCLOHEXYL-4-CHLORO-4,4-DIFLUORO-3-(4-METHOXYANILINO)-BUTANOATE;MAJOR-DIASTEREOMER
(+)-(2S,5S,1R)-5-METHYL-2-(1-METHYL-1-PHENYLETHYL)-CYCLOHEXYL-(Z)-4-CHLORO-4,4-DIFLUORO-3-(4-METHOXYANILINO)-2-BUTENOATE;IMINO-TAUTOMER
Acetic acid, 2-(4,4-dimethyl-1-cyclopenten-3-one-2-yl)-, 8'-phenylmenthyl ester
1-Benzyl 3-{(1R,2S,5R)-2-[2-(4-methoxyphenyl)propan-2-yl)]-5-methylcyclohexyl} (2'R/S)-2'-(tert-butyl)malonate
(+)-(2S,5S,1R)-5-METHYL-2-(1-METHYL-1-PHENYLETHYL)-CYCLOHEXYL-(Z)-4,4,4-TRIFLUORO-3-(4-METHOXYANILINO)-2-BUTENOATE
(1'R,2'S,5'R)-5'-Methyl-2'-(1-methyl-1-phenylethyl)cyclohexyl N-phenylaziridine-2-carboxylate
(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl) cyclohexyl (2-R)-4,4-dimethyl-2-phenylpentanoate
5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl 2-hydroxy-2,5,5-trimethyl-4-oxohexanoate
1-Benzyl 3-[(1R,2S,5R)-2-(2-phenylpropan-2-yl)-5-methylcyclohexyl] (2'R/S)-2'-(tertbutyl)malonate
di[(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl](2'R,3'S)-2',3'-di(tert-butyl)succinate
Title Journal or Book Year
New Strategy for the Stereoselective Synthesis of Fluorinated β-Amino Acids The Journal of Organic Chemistry 2002
Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.