| SpectraBase Spectrum ID |
KQqHO2reXbj |
| Name |
5-Chloro-1-(beta-D-glucopyranosyl)-2(1H)-pyridone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
291.050964869 u |
| Formula |
C11H14ClNO6 |
| InChI |
InChI=1S/C11H14ClNO6/c12-5-1-2-7(15)13(3-5)11-10(18)9(17)8(16)6(4-14)19-11/h1-3,6,8-11,14,16-18H,4H2/t6-,8-,9+,10-,11-/m1/s1 |
| InChIKey |
CVUAHDOONIOZKR-WVTGURRWSA-N |
| SMILES |
OC[C@]1(O[C@]([C@@]([C@]([C@@]1(O)[H])(O)[H])(O)[H])(N1C(C=CC(=C1)Cl)=O)[H])[H] |
| Spectrum/Structure Validation Score (Raman) |
0.907238 |
