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1,3,4,5-Tetraacetyl-D-glucoheptulosan

View entire compound with spectra: 1 NMR, and 1 FTIR

1,3,4,5-Tetraacetyl-D-glucoheptulosan
SpectraBase Compound ID 4T3EEPz3yNR
InChI InChI=1S/C15H22O11/c1-7(17)22-6-15(21)14(25-10(4)20)13(24-9(3)19)12(23-8(2)18)11(5-16)26-15/h11-14,16,21H,5-6H2,1-4H3/t11-,12-,13+,14-,15+/m1/s1
InChIKey LNURXUFJAAWFFL-QMIVOQANSA-N
Mol Weight 378.33 g/mol
Molecular Formula C15H22O11
Exact Mass 378.116212 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I6Afy4lBxUF
Name 1,3,4,5-Tetraacetyl-D-glucoheptulosan
Comments Computed using HOSE algorithm
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Exact Mass 378.116211517 u
Formula C15H22O11
InChI InChI=1S/C15H22O11/c1-7(17)22-6-15(21)14(25-10(4)20)13(24-9(3)19)12(23-8(2)18)11(5-16)26-15/h11-14,16,21H,5-6H2,1-4H3/t11-,12-,13+,14-,15+/m1/s1
InChIKey LNURXUFJAAWFFL-QMIVOQANSA-N
Molecular Weight 378.330 g/mol
SMILES [C@@]1([C@](O[C@]([C@@]([C@]1(OC(C)=O)[H])(OC(C)=O)[H])(COC(C)=O)O)(CO)[H])(OC(C)=O)[H]