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

View entire 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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 91qs4oX5AdB
Name (2S,5S,1R)-2-[1-(4-IODOPHENYL)-1-METHYLETHYL]-5-METHYLCYCLOHEXYL-4,4,4-TRIFLUORO-3-(4-METHOXYANILINO)-BUTANOATE;MAJOR-DIASTEREOMER
Compound Number (3S,R*)-6O
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H33F3INO3
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
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 603.464 g/mol
Solvent CDCl3
Source File Reference UWVN23355