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#ENT-12;[1S,(2Z)]-1-[(1R)-1-[[(4R)-4-ISOPROPYL-2-OXO-1,3-OXAZOLIDIN-3-YL]-CARBONYL]-4-METHYL-PENT-4-ENYL]-3,7-DIMETHYL-OCTA-2,6-DIENYL-(2R)-3,3,3-TRIFLUORO-2-M

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#ENT-12;[1S,(2Z)]-1-[(1R)-1-[[(4R)-4-ISOPROPYL-2-OXO-1,3-OXAZOLIDIN-3-YL]-CARBONYL]-4-METHYL-PENT-4-ENYL]-3,7-DIMETHYL-OCTA-2,6-DIENYL-(2R)-3,3,3-TRIFLUORO-2-M
SpectraBase Compound ID CYqu09t8jKC
InChI InChI=1S/C33H44F3NO6/c1-21(2)13-12-14-24(7)19-28(43-30(39)32(41-8,33(34,35)36)25-15-10-9-11-16-25)26(18-17-22(3)4)29(38)37-27(23(5)6)20-42-31(37)40/h9-11,13,15-16,19,23,26-28H,3,12,14,17-18,20H2,1-2,4-8H3/b24-19-/t26-,27-,28+,32-/m1/s1
InChIKey FTPLPQQAYAQKLU-VIKFGAMFSA-N
Mol Weight 607.7 g/mol
Molecular Formula C33H44F3NO6
Exact Mass 607.312073 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4onjkww8ufB
Name #ENT-12;[1S,(2Z)]-1-[(1R)-1-[[(4R)-4-ISOPROPYL-2-OXO-1,3-OXAZOLIDIN-3-YL]-CARBONYL]-4-METHYL-PENT-4-ENYL]-3,7-DIMETHYL-OCTA-2,6-DIENYL-(2R)-3,3,3-TRIFLUORO-2-M
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H44F3NO6
InChI InChI=1S/C33H44F3NO6/c1-21(2)13-12-14-24(7)19-28(43-30(39)32(41-8,33(34,35)36)25-15-10-9-11-16-25)26(18-17-22(3)4)29(38)37-27(23(5)6)20-42-31(37)40/h9-11,13,15-16,19,23,26-28H,3,12,14,17-18,20H2,1-2,4-8H3/b24-19-/t26-,27-,28+,32-/m1/s1
InChIKey FTPLPQQAYAQKLU-VIKFGAMFSA-N
Literature Reference Author S.KRIENING,A.EVAGELOU,B.CLAASEN,A.BARO,S.LASCHAT
Literature Reference Citation EUR.J.ORG.CHEM.,2014,6720(2014)
Literature Reference DOI 10.1002/ejoc.201402736
Solvent CDCl3
Source File Reference UWIR19442