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o-Benzoyl-5-o-isopropylidene-1,2-C-methyl-3-alpha-D-xylofuranose
SpectraBase Compound ID 12PE44IjuJZ
InChI InChI=1S/C16H20O6/c1-15(2)21-12-14(22-15)20-11(16(12,3)18)9-19-13(17)10-7-5-4-6-8-10/h4-8,11-12,14,18H,9H2,1-3H3
InChIKey PAUXEHQXTNPANI-UHFFFAOYSA-N
Mol Weight 308.33 g/mol
Molecular Formula C16H20O6
Exact Mass 308.125988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G1bMum1lN0F
Name o-Benzoyl-5-o-isopropylidene-1,2-C-methyl-3-alpha-D-xylofuranose
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.125988358 u
Formula C16H20O6
InChI InChI=1S/C16H20O6/c1-15(2)21-12-14(22-15)20-11(16(12,3)18)9-19-13(17)10-7-5-4-6-8-10/h4-8,11-12,14,18H,9H2,1-3H3
InChIKey PAUXEHQXTNPANI-UHFFFAOYSA-N
Molecular Weight 308.330 g/mol
SMILES C12C(OC(O2)(C)C)OC(C1(O)C)COC(=O)C1=CC=CC=C1