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(2S,5S,1R)-5-METHYL-2-(1-METHYL-1-PHENYLETHYL)-CYCLOHEXYL-4,4,4-TRIFLUORO-3-(4-METHOXYANILINO)-BUTANOATE;MAJOR-DIASTEREOMER

View entire compound with spectra: 2 NMR

(2S,5S,1R)-5-METHYL-2-(1-METHYL-1-PHENYLETHYL)-CYCLOHEXYL-4,4,4-TRIFLUORO-3-(4-METHOXYANILINO)-BUTANOATE;MAJOR-DIASTEREOMER
SpectraBase Compound ID 1ZGDi6OEzy0
InChI InChI=1S/C27H34F3NO3/c1-18-10-15-22(26(2,3)19-8-6-5-7-9-19)23(16-18)34-25(32)17-24(27(28,29)30)31-20-11-13-21(33-4)14-12-20/h5-9,11-14,18,22-24,31H,10,15-17H2,1-4H3/t18-,22-,23-,24+/m1/s1
InChIKey IAQRJOADGAXOPB-WJXFIBLPSA-N
Mol Weight 477.6 g/mol
Molecular Formula C27H34F3NO3
Exact Mass 477.249078 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BwHSA5tD6qQ
Name (2S,5S,1R)-5-METHYL-2-(1-METHYL-1-PHENYLETHYL)-CYCLOHEXYL-4,4,4-TRIFLUORO-3-(4-METHOXYANILINO)-BUTANOATE;MAJOR-DIASTEREOMER
Compound Number (3S,R*)-6M
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H34F3NO3
InChI InChI=1S/C27H34F3NO3/c1-18-10-15-22(26(2,3)19-8-6-5-7-9-19)23(16-18)34-25(32)17-24(27(28,29)30)31-20-11-13-21(33-4)14-12-20/h5-9,11-14,18,22-24,31H,10,15-17H2,1-4H3/t18-,22-,23-,24+/m1/s1
InChIKey IAQRJOADGAXOPB-WJXFIBLPSA-N
Literature Reference Author S.FUSTERO,B.PINA,E.SALAVERT,A.NAVARRO,M.C.R.D.ARELLANO,A.S.F UENTES
Literature Reference Citation J.ORG.CHEM.,67,4667(2002)
Literature Reference DOI 10.1021/jo025621k
Molecular Weight 477.567 g/mol
Solvent CDCl3
Source File Reference UWVN23352