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3-{[(4-METHYLPHENYL)-THIO]-(PHENYL)-METHYL}-4-PHENYL-2,6-BIS-(TRIFLUOROMETHYL)-TETRAHYDRO-2-H-PYRAN-2,6-DIOL
SpectraBase Compound ID 58MGCNuuOZY
InChI InChI=1S/C27H24F6O3S/c1-17-12-14-20(15-13-17)37-23(19-10-6-3-7-11-19)22-21(18-8-4-2-5-9-18)16-24(34,26(28,29)30)36-25(22,35)27(31,32)33/h2-15,21-23,34-35H,16H2,1H3/t21-,22+,23+,24+,25-/m0/s1
InChIKey HCLPUEMNPZYJSO-ZLFMQQKDSA-N
Mol Weight 542.54 g/mol
Molecular Formula C27H24F6O3S
Exact Mass 542.135035 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CxIA3qU0rgH
Name 3-{[(4-METHYLPHENYL)-THIO]-(PHENYL)-METHYL}-4-PHENYL-2,6-BIS-(TRIFLUOROMETHYL)-TETRAHYDRO-2-H-PYRAN-2,6-DIOL
Compound Number IV
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H24F6O3S
InChI InChI=1S/C27H24F6O3S/c1-17-12-14-20(15-13-17)37-23(19-10-6-3-7-11-19)22-21(18-8-4-2-5-9-18)16-24(34,26(28,29)30)36-25(22,35)27(31,32)33/h2-15,21-23,34-35H,16H2,1H3/t21-,22+,23+,24+,25-/m0/s1
InChIKey HCLPUEMNPZYJSO-ZLFMQQKDSA-N
Literature Reference Author V.G.NENAJDENKO,A.V.SANIN,A.V.CHURAKOV,J.A.K.HOWARD,E.S.BALEN KOVA
Literature Reference Citation CHEM.HET.COMP.,35,549(1999)
Literature Reference DOI 10.1007/bf02324637
Molecular Weight 542.536 g/mol
Solvent ACETONE-D6
Source File Reference UWMZ15214