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 |