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(5S)-5-(2-(4-METHYLPHENYL)-4-TRIFLUOROMETHYL-2,5'-BISTHIAZOLYL-4-YL-METHYL)-2,2-BIS-(TRIFLUOROMETHYL)-1,3-DIOXOLAN-4-ONE
SpectraBase Compound ID 1IT0sXoqcVu
InChI InChI=1S/C20H11F9N2O3S2/c1-8-2-4-9(5-3-8)14-31-13(17(21,22)23)12(36-14)15-30-10(7-35-15)6-11-16(32)34-18(33-11,19(24,25)26)20(27,28)29/h2-5,7,11H,6H2,1H3/t11-/m1/s1
InChIKey IEFHKXKJOZUSCK-LLVKDONJSA-N
Mol Weight 562.42 g/mol
Molecular Formula C20H11F9N2O3S2
Exact Mass 562.006738 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C90wPJuHMzr
Name (5S)-5-(2-(4-METHYLPHENYL)-4-TRIFLUOROMETHYL-2,5'-BISTHIAZOLYL-4-YL-METHYL)-2,2-BIS-(TRIFLUOROMETHYL)-1,3-DIOXOLAN-4-ONE
Compound Number 7G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H11F9N2O3S2
InChI InChI=1S/C20H11F9N2O3S2/c1-8-2-4-9(5-3-8)14-31-13(17(21,22)23)12(36-14)15-30-10(7-35-15)6-11-16(32)34-18(33-11,19(24,25)26)20(27,28)29/h2-5,7,11H,6H2,1H3/t11-/m1/s1
InChIKey IEFHKXKJOZUSCK-LLVKDONJSA-N
Literature Reference Author K.BURGER,E.WINDEISEN,E.HEISTRACHER,T.LANGE,A.A.H.ABDEL-ALEEM
Literature Reference Citation MH.CHEM.,133,41(2002)
Literature Reference DOI 10.1007/s007060270005
Molecular Weight 562.425 g/mol
Solvent CDCl3
Source File Reference UWKP5011