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(+)-(2S,5S,1R)-5-METHYL-2-(1-METHYL-1-PHENYLETHYL)-CYCLOHEXYL-(Z)-4-CHLORO-4,4-DIFLUORO-3-(4-METHOXYANILINO)-2-BUTENOATE;(Z)-ENAMINO-TAUTOMER

View entire compound with spectra: 2 NMR

(+)-(2S,5S,1R)-5-METHYL-2-(1-METHYL-1-PHENYLETHYL)-CYCLOHEXYL-(Z)-4-CHLORO-4,4-DIFLUORO-3-(4-METHOXYANILINO)-2-BUTENOATE;(Z)-ENAMINO-TAUTOMER
SpectraBase Compound ID JVx1AokYi3O
InChI InChI=1S/2C27H32ClF2NO3/c2*1-18-10-15-22(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/h2*5-9,11-14,17-18,22-23,31H,10,15-16H2,1-4H3/b2*24-17-/t2*18-,22-,23-/m11/s1
InChIKey HXPBMRQGUGMDNN-GNFTXPFMSA-N
Mol Weight 984.0 g/mol
Molecular Formula C54H64Cl2F4N2O6
Exact Mass 982.407756 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GRjBoo0NPww
Name (+)-(2S,5S,1R)-5-METHYL-2-(1-METHYL-1-PHENYLETHYL)-CYCLOHEXYL-(Z)-4-CHLORO-4,4-DIFLUORO-3-(4-METHOXYANILINO)-2-BUTENOATE;(Z)-ENAMINO-TAUTOMER
Compound Number 4M
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H64Cl2F4N2O6
InChI InChI=1S/2C27H32ClF2NO3/c2*1-18-10-15-22(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/h2*5-9,11-14,17-18,22-23,31H,10,15-16H2,1-4H3/b2*24-17-/t2*18-,22-,23-/m11/s1
InChIKey HXPBMRQGUGMDNN-GNFTXPFMSA-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 984.012 g/mol
Solvent CDCl3
Source File Reference UWVN23332