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(2S,5S,1R)-5-METHYL-2-(1-METHYL-1-PHENYLETHYL)-CYCLOHEXYL-4,4,4-TRIFLUORO-3-(4-METHOXYANILINO)-2-METHYL-BUTANOATE;MINOR-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)-2-METHYL-BUTANOATE;MINOR-DIASTEREOMER
SpectraBase Compound ID JceSnFYuAeO
InChI InChI=1S/C28H36F3NO3/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/h6-10,12-15,18-19,23-25,32H,11,16-17H2,1-5H3/t18-,19+,23-,24-,25+/m1/s1
InChIKey BEUZFBVDQYFFDN-XZPPUWBPSA-N
Mol Weight 491.6 g/mol
Molecular Formula C28H36F3NO3
Exact Mass 491.264729 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9bnFQCKlMRZ
Name (2S,5S,1R)-5-METHYL-2-(1-METHYL-1-PHENYLETHYL)-CYCLOHEXYL-4,4,4-TRIFLUORO-3-(4-METHOXYANILINO)-2-METHYL-BUTANOATE;MINOR-DIASTEREOMER
Compound Number (2S,3S,R*)-6Q
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H36F3NO3
InChI InChI=1S/C28H36F3NO3/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/h6-10,12-15,18-19,23-25,32H,11,16-17H2,1-5H3/t18-,19+,23-,24-,25+/m1/s1
InChIKey BEUZFBVDQYFFDN-XZPPUWBPSA-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 491.594 g/mol
Solvent CDCl3
Source File Reference UWVN23357