| SpectraBase Spectrum ID |
4uS4Vb48HeU |
| Name |
D-Gluco-heptulose, hexaacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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)26-7-15-16(28-11(3)22)17(29-12(4)23)18(30-13(5)24)19(32-15,31-14(6)25)8-27-10(2)21/h15-18H,7-8H2,1-6H3/t15-,16-,17+,18-,19+/m1/s1 |
| InChIKey |
NTNWFYAXTVOFMK-FQBWVUSXSA-N |
| Molecular Weight |
462.404 g/mol |
| SMILES |
[C@@]1([C@](O[C@]([C@@]([C@]1(OC(C)=O)[H])(OC(C)=O)[H])(COC(=O)C)OC(C)=O)(COC(C)=O)[H])(OC(=O)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963123 |
