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(3R,4S,6R)-2-(benzyloxy)-6-((2,2,2-trifluoroacetoxy)methyl)tetrahydro-2H-pyran-3,4,5-triyl tris(2,2,2-trifluoroacetate)
SpectraBase Compound ID FmF2K6a4q0a
InChI InChI=1S/C21H14F12O10/c22-18(23,24)14(34)39-7-9-10(41-15(35)19(25,26)27)11(42-16(36)20(28,29)30)12(43-17(37)21(31,32)33)13(40-9)38-6-8-4-2-1-3-5-8/h1-5,9-13H,6-7H2
InChIKey JIMPIJVFQGNCEM-UHFFFAOYSA-N
Mol Weight 654.31 g/mol
Molecular Formula C21H14F12O10
Exact Mass 654.039535 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BxhgrmosCNb
Name (3R,4S,6R)-2-(benzyloxy)-6-((2,2,2-trifluoroacetoxy)methyl)tetrahydro-2H-pyran-3,4,5-triyl tris(2,2,2-trifluoroacetate)
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Formula C21H14F12O10
InChI InChI=1S/C21H14F12O10/c22-18(23,24)14(34)39-7-9-10(41-15(35)19(25,26)27)11(42-16(36)20(28,29)30)12(43-17(37)21(31,32)33)13(40-9)38-6-8-4-2-1-3-5-8/h1-5,9-13H,6-7H2
InChIKey JIMPIJVFQGNCEM-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.chroma.2013.08.051
Molecular Weight 654.314 g/mol
SMILES C1(C(C(C(C(O1)OCc1ccccc1)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)COC(C(F)(F)F)=O
SPLASH splash10-0006-9100000000-49d32169fde42a6980fe
Source of Spectrum Kai Cai, et al. Journal of Chromatography A, 10.1016/j.chroma.2013.08.051
Wiley ID 1816186