| SpectraBase Spectrum ID |
7U4ygK73M3r |
| Name |
Methyl .alpha.-D-glucoheptuloside |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.089602848 u |
| Formula |
C8H16O7 |
| InChI |
InChI=1S/C8H16O7/c1-14-8(3-10)7(13)6(12)5(11)4(2-9)15-8/h4-7,9-13H,2-3H2,1H3/t4-,5-,6+,7-,8+/m1/s1 |
| InChIKey |
CEFPSUPHYFLNRZ-CBQIKETKSA-N |
| Molecular Weight |
224.209 g/mol |
| SMILES |
[C@@]1([C@](O[C@]([C@@]([C@]1(O)[H])(O)[H])(CO)OC)(CO)[H])(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.816983 |
