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D-Mannoheptulose pentaacetate

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

D-Mannoheptulose pentaacetate
SpectraBase Compound ID 21R7YCRfCUw
InChI InChI=1S/C17H24O12/c1-8(19)25-7-14(26-9(2)20)16(28-11(4)22)17(29-12(5)23)15(13(24)6-18)27-10(3)21/h14-18H,6-7H2,1-5H3
InChIKey NFUPTWACDOJGPD-UHFFFAOYSA-N
Mol Weight 420.37 g/mol
Molecular Formula C17H24O12
Exact Mass 420.126776 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3nb0Jq57tMD
Name D-Mannoheptulose pentaacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.126776201 u
Formula C17H24O12
InChI InChI=1S/C17H24O12/c1-8(19)25-7-14(26-9(2)20)16(28-11(4)22)17(29-12(5)23)15(13(24)6-18)27-10(3)21/h14-18H,6-7H2,1-5H3
InChIKey NFUPTWACDOJGPD-UHFFFAOYSA-N
Molecular Weight 420.367 g/mol
SMILES C(C(C(C(C(OC(=O)C)C(CO)=O)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.983675