| SpectraBase Spectrum ID |
3cTCtUPLOf8 |
| Name |
D-Glucose, 2,3,4-triacetate 6-benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.121296898 u |
| Formula |
C19H22O10 |
| InChI |
InChI=1S/C19H22O10/c1-10(20)26-15-14(9-25-18(23)13-7-5-4-6-8-13)29-19(24)17(28-12(3)22)16(15)27-11(2)21/h4-8,14-17,19,24H,9H2,1-3H3/t14-,15-,16+,17-,19?/m1/s1 |
| InChIKey |
GKTGKUMZLSGPJW-YPEANGHVSA-N |
| Molecular Weight |
410.375 g/mol |
| SMILES |
[C@@]1([C@](C(O)O[C@@]([C@]1(OC(=O)C)[H])(COC(=O)C=1C=CC=CC1)[H])(OC(=O)C)[H])(OC(=O)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976009 |
