| SpectraBase Spectrum ID |
4sTnVG0QXmi |
| Name |
Ethyl 2-o-benzoyl-3,4,5-trideoxy-L-glycero-hexuronate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.115423675 u |
| Formula |
C15H18O5 |
| InChI |
InChI=1S/C15H18O5/c1-2-19-14(17)10-6-9-13(11-16)20-15(18)12-7-4-3-5-8-12/h3-5,7-8,11,13H,2,6,9-10H2,1H3/t13-/m0/s1 |
| InChIKey |
GNGWLCLWAZJBBV-ZDUSSCGKSA-N |
| SMILES |
C(O[C@](C=O)(CCCC(=O)OCC)[H])(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903343 |
