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METHYL-(1R)-1-[2-(3-ISOPROPYL-1-METHYL-2-[[(TRIFLUOROMETHYL)-SULFONYL]-OXY]-CYCLOPENT-2-EN-1-YL)-ETHYL]-4-OXOCYCLOHEXA-2,5-DIENE-1-CARBOXYLATE

View entire compound with spectra: 2 NMR

METHYL-(1R)-1-[2-(3-ISOPROPYL-1-METHYL-2-[[(TRIFLUOROMETHYL)-SULFONYL]-OXY]-CYCLOPENT-2-EN-1-YL)-ETHYL]-4-OXOCYCLOHEXA-2,5-DIENE-1-CARBOXYLATE
SpectraBase Compound ID 2hPqdYAIXYG
InChI InChI=1S/C20H25F3O6S/c1-13(2)15-7-8-18(3,16(15)29-30(26,27)20(21,22)23)11-12-19(17(25)28-4)9-5-14(24)6-10-19/h5-6,9-10,13H,7-8,11-12H2,1-4H3/t18-/m1/s1
InChIKey ZLTBAGPDLSMFPP-GOSISDBHSA-N
Mol Weight 450.47 g/mol
Molecular Formula C20H25F3O6S
Exact Mass 450.132394 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID INrfQndBHF9
Name METHYL-(1R)-1-[2-(3-ISOPROPYL-1-METHYL-2-[[(TRIFLUOROMETHYL)-SULFONYL]-OXY]-CYCLOPENT-2-EN-1-YL)-ETHYL]-4-OXOCYCLOHEXA-2,5-DIENE-1-CARBOXYLATE
Compound Number 45
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H25F3O6S
InChI InChI=1S/C20H25F3O6S/c1-13(2)15-7-8-18(3,16(15)29-30(26,27)20(21,22)23)11-12-19(17(25)28-4)9-5-14(24)6-10-19/h5-6,9-10,13H,7-8,11-12H2,1-4H3/t18-/m1/s1
InChIKey ZLTBAGPDLSMFPP-GOSISDBHSA-N
Literature Reference Author E.DREGE,C.TOMINIAUX,G.MAORGANT,D.DESMAELE
Literature Reference Citation EUR.J.ORG.CHEM.,4825(2006)
Molecular Weight 450.470 g/mol
Sample ID 44303
Solvent CDCl3