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(5S)-5-[2-[1-(HYDROXYMETHYL)-CYCLOHEXA-2,5-DIEN-1-YL]-ETHYL]-2-ISOPROPYL-5-METHYLCYCLOPENT-1-EN-1-YL-TRIFLUOROMETHANESULFONATE

View entire compound with spectra: 2 NMR

(5S)-5-[2-[1-(HYDROXYMETHYL)-CYCLOHEXA-2,5-DIEN-1-YL]-ETHYL]-2-ISOPROPYL-5-METHYLCYCLOPENT-1-EN-1-YL-TRIFLUOROMETHANESULFONATE
SpectraBase Compound ID 8NlnTO0fbb1
InChI InChI=1S/C19H27F3O4S/c1-14(2)15-7-10-17(3,16(15)26-27(24,25)19(20,21)22)11-12-18(13-23)8-5-4-6-9-18/h5-6,8-9,14,23H,4,7,10-13H2,1-3H3/t17-/m1/s1
InChIKey LFBSYMVUAPOYNS-QGZVFWFLSA-N
Mol Weight 408.48 g/mol
Molecular Formula C19H27F3O4S
Exact Mass 408.158215 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3P9d6p1ExKK
Name (5S)-5-[2-[1-(HYDROXYMETHYL)-CYCLOHEXA-2,5-DIEN-1-YL]-ETHYL]-2-ISOPROPYL-5-METHYLCYCLOPENT-1-EN-1-YL-TRIFLUOROMETHANESULFONATE
Compound Number 47
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H27F3O4S
InChI InChI=1S/C19H27F3O4S/c1-14(2)15-7-10-17(3,16(15)26-27(24,25)19(20,21)22)11-12-18(13-23)8-5-4-6-9-18/h5-6,8-9,14,23H,4,7,10-13H2,1-3H3/t17-/m1/s1
InChIKey LFBSYMVUAPOYNS-QGZVFWFLSA-N
Literature Reference Author E.DREGE,C.TOMINIAUX,G.MAORGANT,D.DESMAELE
Literature Reference Citation EUR.J.ORG.CHEM.,4825(2006)
Molecular Weight 408.476 g/mol
Sample ID 44305
Solvent CDCl3