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Methyl pentaacetyl-D-mannoheptuloside
SpectraBase Compound ID HZEW45RwpkN
InChI InChI=1S/C18H26O12/c1-9(19)26-8-15(27-10(2)20)17(29-12(4)22)18(30-13(5)23)16(28-11(3)21)14(24)7-25-6/h15-18H,7-8H2,1-6H3
InChIKey TYSSWMZEZHDUFJ-UHFFFAOYSA-N
Mol Weight 434.39 g/mol
Molecular Formula C18H26O12
Exact Mass 434.142426 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2p7YTSzB1gr
Name Methyl pentaacetyl-D-mannoheptuloside
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.142426265 u
Formula C18H26O12
InChI InChI=1S/C18H26O12/c1-9(19)26-8-15(27-10(2)20)17(29-12(4)22)18(30-13(5)23)16(28-11(3)21)14(24)7-25-6/h15-18H,7-8H2,1-6H3
InChIKey TYSSWMZEZHDUFJ-UHFFFAOYSA-N
Molecular Weight 434.394 g/mol
SMILES C(C(C(C(C(C(COC)=O)OC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.977212