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#48;(1S)-[1-[2-(3-ISOPROPYL-1-METHYL-2-[[(TRIFLUOROMETHYL)-SULFONYL]-OXY]-CYCLOPENT-2-EN-1-YL)-ETHYL]-CYCLOHEXA-2,5-DIEN-1-YL]-METHYL-2,2-DIMETHYLPROPANOATE

View entire compound with spectra: 2 NMR

#48;(1S)-[1-[2-(3-ISOPROPYL-1-METHYL-2-[[(TRIFLUOROMETHYL)-SULFONYL]-OXY]-CYCLOPENT-2-EN-1-YL)-ETHYL]-CYCLOHEXA-2,5-DIEN-1-YL]-METHYL-2,2-DIMETHYLPROPANOATE
SpectraBase Compound ID HQ9AkbZ0XP6
InChI InChI=1S/C24H35F3O5S/c1-17(2)18-10-13-22(6,19(18)32-33(29,30)24(25,26)27)14-15-23(11-8-7-9-12-23)16-31-20(28)21(3,4)5/h8-9,11-12,17H,7,10,13-16H2,1-6H3/t22-/m1/s1
InChIKey NTIFOVZTPJXPRW-JOCHJYFZSA-N
Mol Weight 492.6 g/mol
Molecular Formula C24H35F3O5S
Exact Mass 492.21573 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1zweGzczYeR
Name #48;(1S)-[1-[2-(3-ISOPROPYL-1-METHYL-2-[[(TRIFLUOROMETHYL)-SULFONYL]-OXY]-CYCLOPENT-2-EN-1-YL)-ETHYL]-CYCLOHEXA-2,5-DIEN-1-YL]-METHYL-2,2-DIMETHYLPROPANOATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H35F3O5S
InChI InChI=1S/C24H35F3O5S/c1-17(2)18-10-13-22(6,19(18)32-33(29,30)24(25,26)27)14-15-23(11-8-7-9-12-23)16-31-20(28)21(3,4)5/h8-9,11-12,17H,7,10,13-16H2,1-6H3/t22-/m1/s1
InChIKey NTIFOVZTPJXPRW-JOCHJYFZSA-N
Literature Reference Author E.DREGE,C.TOMINIAUX,G.MAORGANT,D.DESMAELE
Literature Reference Citation EUR.J.ORG.CHEM.,4825(2006)
Molecular Weight 492.594 g/mol
Sample ID 44306
Solvent CDCl3