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3-o-Allyl-5,6-carbonate-1,2-o-isopropylidene-.alpha.,D-allofuranose
SpectraBase Compound ID 7tYbknOGUR3
InChI InChI=1S/C13H18O7/c1-4-5-15-9-8(7-6-16-12(14)17-7)18-11-10(9)19-13(2,3)20-11/h4,7-11H,1,5-6H2,2-3H3/t7-,8-,9-,10-,11-/m1/s1
InChIKey GQGGWSRRANPXDQ-ISUQUUIWSA-N
Mol Weight 286.28 g/mol
Molecular Formula C13H18O7
Exact Mass 286.105253 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6ktKP6Ge8Dk
Name 3-o-Allyl-5,6-carbonate-1,2-o-isopropylidene-.alpha.,D-allofuranose
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.105252913 u
Formula C13H18O7
InChI InChI=1S/C13H18O7/c1-4-5-15-9-8(7-6-16-12(14)17-7)18-11-10(9)19-13(2,3)20-11/h4,7-11H,1,5-6H2,2-3H3/t7-,8-,9-,10-,11-/m1/s1
InChIKey GQGGWSRRANPXDQ-ISUQUUIWSA-N
SMILES [C@]12([C@](O[C@@]([C@]2(OCC=C)[H])([C@@]2(OC(=O)OC2)[H])[H])(OC(O1)(C)C)[H])[H]