| SpectraBase Spectrum ID |
JjG2g0fKl5H |
| Name |
alpha-D-Glucoheptonic acid sodium salt |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.050811651 u |
| Formula |
C7H13NaO8 |
| InChI |
InChI=1S/C7H14O8.Na/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2-6,8-13H,1H2,(H,14,15);/q;+1/p-1 |
| InChIKey |
FMYOMWCQJXWGEN-UHFFFAOYSA-M |
| Molecular Weight |
248.163 g/mol |
| SMILES |
[Na+].C(C(C([O-])=O)O)(C(C(C(O)CO)O)O)O |
| Spectrum/Structure Validation Score (Raman) |
0.979542 |
