| SpectraBase Spectrum ID |
5Ulv1bm2JwM |
| Name |
3,6-di-o-Benzoyl-D-glucal |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.110338294 u |
| Formula |
C20H18O6 |
| InChI |
InChI=1S/C20H18O6/c21-18-16(26-20(23)15-9-5-2-6-10-15)11-12-24-17(18)13-25-19(22)14-7-3-1-4-8-14/h1-12,16-18,21H,13H2/t16-,17-,18+/m1/s1 |
| InChIKey |
MXJFEWOUOTWSTM-KURKYZTESA-N |
| Molecular Weight |
354.358 g/mol |
| SMILES |
C(O[C@]1([C@@]([C@@](COC(=O)C2=CC=CC=C2)(OC=C1)[H])(O)[H])[H])(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Raman) |
0.973896 |
