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D-Arabino-hexitol, 2-deoxy-, pentakis(trifluoroacetate)
SpectraBase Compound ID 2MEcxxEQH1Q
InChI InChI=1S/C16H9F15O10/c17-12(18,19)7(32)37-2-1-4(39-9(34)14(23,24)25)6(41-11(36)16(29,30)31)5(40-10(35)15(26,27)28)3-38-8(33)13(20,21)22/h4-6H,1-3H2
InChIKey NIJJCAQADCYWDG-UHFFFAOYSA-N
Mol Weight 646.21 g/mol
Molecular Formula C16H9F15O10
Exact Mass 645.995619 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5f2kUiX8wVz
Name D-Arabino-hexitol, 2-deoxy-, pentakis(trifluoroacetate)
Comments Computed using HOSE algorithm
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Exact Mass 645.995618925 u
Formula C16H9F15O10
InChI InChI=1S/C16H9F15O10/c17-12(18,19)7(32)37-2-1-4(39-9(34)14(23,24)25)6(41-11(36)16(29,30)31)5(40-10(35)15(26,27)28)3-38-8(33)13(20,21)22/h4-6H,1-3H2
InChIKey NIJJCAQADCYWDG-UHFFFAOYSA-N
Molecular Weight 646.214 g/mol
SMILES C(C(C(CCOC(C(F)(F)F)=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)(COC(C(F)(F)F)=O)OC(C(F)(F)F)=O