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2,3-o-Isopropylidene-.gamma.-D-ribonolactone 2-methoxycarbonylpropionate isomer
SpectraBase Compound ID 3AWUnmdanG5
InChI InChI=1S/C13H18O8/c1-6(10(14)17-4)11(15)18-5-7-8-9(12(16)19-7)21-13(2,3)20-8/h6-9H,5H2,1-4H3/t6?,7-,8-,9-/m1/s1
InChIKey XJAIDNKBKFXEIC-FUZJYRNYSA-N
Mol Weight 302.28 g/mol
Molecular Formula C13H18O8
Exact Mass 302.100168 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID bZZU6fkPsZ
Name 2,3-o-Isopropylidene-.gamma.-D-ribonolactone 2-methoxycarbonylpropionate isomer
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 302.100167532 u
Formula C13H18O8
InChI InChI=1S/C13H18O8/c1-6(10(14)17-4)11(15)18-5-7-8-9(12(16)19-7)21-13(2,3)20-8/h6-9H,5H2,1-4H3/t6?,7-,8-,9-/m1/s1
InChIKey XJAIDNKBKFXEIC-FUZJYRNYSA-N
SMILES [C@@]12([C@@]([C@@](COC(C(C(=O)OC)C)=O)(OC2=O)[H])(OC(O1)(C)C)[H])[H]