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1,6-Anhydro-2,3-o-isopropylidene-.beta.-D-mannopyranose, trifluoroacetate
SpectraBase Compound ID DeGRkjdXr8S
InChI InChI=1S/C11H13F3O6/c1-10(2)19-6-5(18-9(15)11(12,13)14)4-3-16-8(17-4)7(6)20-10/h4-8H,3H2,1-2H3/t4-,5-,6-,7-,8-/m1/s1
InChIKey UVHBEMIQJSSZLB-FMDGEEDCSA-N
Mol Weight 298.21 g/mol
Molecular Formula C11H13F3O6
Exact Mass 298.066423 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7qUve7qGSHo
Name 1,6-Anhydro-2,3-o-isopropylidene-.beta.-D-mannopyranose, trifluoroacetate
Comments Computed using HOSE algorithm
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Exact Mass 298.066422622 u
Formula C11H13F3O6
InChI InChI=1S/C11H13F3O6/c1-10(2)19-6-5(18-9(15)11(12,13)14)4-3-16-8(17-4)7(6)20-10/h4-8H,3H2,1-2H3/t4-,5-,6-,7-,8-/m1/s1
InChIKey UVHBEMIQJSSZLB-FMDGEEDCSA-N
Molecular Weight 298.214 g/mol
SMILES [C@]12(O[C@]([C@]3([C@@]([C@@]2(OC(C(F)(F)F)=O)[H])(OC(O3)(C)C)[H])[H])(OC1)[H])[H]