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(+)-(2S,5S,1R)-2-[1-(4-IODOPHENYL)-1-METHYLETHYL]-5-METHYLCYCLOHEXYL-(Z)-4,4,4-TRIFLUORO-3-(4-METHOXYANILINO)-2-BUTENOATE

View entire compound with spectra: 2 NMR

(+)-(2S,5S,1R)-2-[1-(4-IODOPHENYL)-1-METHYLETHYL]-5-METHYLCYCLOHEXYL-(Z)-4,4,4-TRIFLUORO-3-(4-METHOXYANILINO)-2-BUTENOATE
SpectraBase Compound ID 8S9UD3PBKwn
InChI InChI=1S/2C27H31F3INO3/c2*1-17-5-14-22(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/h2*6-13,16-17,22-23,32H,5,14-15H2,1-4H3/b2*24-16-/t2*17-,22-,23-/m11/s1
InChIKey WDEWCHWHDZSFAS-NZAFKQKTSA-N
Mol Weight 1202.9 g/mol
Molecular Formula C54H62F6I2N2O6
Exact Mass 1202.260147 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9r6p5052Urm
Name (+)-(2S,5S,1R)-2-[1-(4-IODOPHENYL)-1-METHYLETHYL]-5-METHYLCYCLOHEXYL-(Z)-4,4,4-TRIFLUORO-3-(4-METHOXYANILINO)-2-BUTENOATE
Compound Number 4L
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H62F6I2N2O6
InChI InChI=1S/2C27H31F3INO3/c2*1-17-5-14-22(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/h2*6-13,16-17,22-23,32H,5,14-15H2,1-4H3/b2*24-16-/t2*17-,22-,23-/m11/s1
InChIKey WDEWCHWHDZSFAS-NZAFKQKTSA-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 1202.895 g/mol
Solvent CDCl3
Source File Reference UWVN23331