| SpectraBase Spectrum ID |
LExBYnJggoY |
| Name |
Glucosamine, 1,3,4,6-o-tetraacetyl-N-benzoyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
451.147845999 u |
| Formula |
C21H25NO10 |
| InChI |
InChI=1S/C21H25NO10/c1-11(23)28-10-16-18(29-12(2)24)19(30-13(3)25)17(21(32-16)31-14(4)26)22-20(27)15-8-6-5-7-9-15/h5-9,16-19,21H,10H2,1-4H3,(H,22,27)/t16-,17-,18-,19-,21-/m1/s1 |
| InChIKey |
YCDLVTWRPTYDJW-DRJBRKBZSA-N |
| Molecular Weight |
451.428 g/mol |
| SMILES |
[C@@]1([C@](O[C@]([C@@]([C@]1(OC(=O)C)[H])(NC(=O)C1=CC=CC=C1)[H])(OC(=O)C)[H])(COC(C)=O)[H])(OC(C)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973068 |
