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D-Mannoheptulose hexaacetate

View entire compound with spectra: 1 NMR

D-Mannoheptulose hexaacetate
SpectraBase Compound ID D0GGL2f8qRW
InChI InChI=1S/C19H26O13/c1-9(20)27-7-15(26)17(30-12(4)23)19(32-14(6)25)18(31-13(5)24)16(29-11(3)22)8-28-10(2)21/h16-19H,7-8H2,1-6H3
InChIKey XPMDRAKLEATMMH-UHFFFAOYSA-N
Mol Weight 462.4 g/mol
Molecular Formula C19H26O13
Exact Mass 462.137341 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1iAYnODR1xL
Name D-Mannoheptulose hexaacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 462.137340884 u
Formula C19H26O13
InChI InChI=1S/C19H26O13/c1-9(20)27-7-15(26)17(30-12(4)23)19(32-14(6)25)18(31-13(5)24)16(29-11(3)22)8-28-10(2)21/h16-19H,7-8H2,1-6H3
InChIKey XPMDRAKLEATMMH-UHFFFAOYSA-N
Molecular Weight 462.404 g/mol
SMILES C(C(C(C(C(C(COC(=O)C)=O)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C