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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-METHYL-2-BUTENOATE;IMINO-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-METHYL-2-BUTENOATE;IMINO-TAUTOMER
SpectraBase Compound ID 1v79Qgn2fS3
InChI InChI=1S/C28H34ClF2NO3/c1-18-11-16-23(27(3,4)20-9-7-6-8-10-20)24(17-18)35-26(33)19(2)25(28(29,30)31)32-21-12-14-22(34-5)15-13-21/h6-10,12-15,18-19,23-24H,11,16-17H2,1-5H3/b32-25-/t18-,19?,23-,24-/m1/s1
InChIKey JSGXFYBIZWNGSD-JPNTVRBQSA-N
Mol Weight 506.0 g/mol
Molecular Formula C28H34ClF2NO3
Exact Mass 505.219528 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BazTFuVTJsA
Name (-)-(2S,5S,1R)-5-METHYL-2-(1-METHYL-1-PHENYLETHYL)-CYCLOHEXYL-(Z)-4-CHLORO-4,4-DIFLUORO-3-(4-METHOXYANILINO)-2-METHYL-2-BUTENOATE;IMINO-TAUTOMER
Compound Number 4U
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H34ClF2NO3
InChI InChI=1S/C28H34ClF2NO3/c1-18-11-16-23(27(3,4)20-9-7-6-8-10-20)24(17-18)35-26(33)19(2)25(28(29,30)31)32-21-12-14-22(34-5)15-13-21/h6-10,12-15,18-19,23-24H,11,16-17H2,1-5H3/b32-25-/t18-,19?,23-,24-/m1/s1
InChIKey JSGXFYBIZWNGSD-JPNTVRBQSA-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 506.033 g/mol
Solvent CDCl3
Source File Reference UWVN23340