| SpectraBase Spectrum ID |
DTOqjAXwZyb |
| Name |
Tetra-o-acetyl-N-acetyl-N-benzoyl-.beta.-D-glucosamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
493.158410682 u |
| Formula |
C23H27NO11 |
| InChI |
InChI=1S/C23H27NO11/c1-12(25)24(22(30)17-9-7-6-8-10-17)19-21(33-15(4)28)20(32-14(3)27)18(11-31-13(2)26)35-23(19)34-16(5)29/h6-10,18-21,23H,11H2,1-5H3/t18-,19-,20-,21-,23-/m1/s1 |
| InChIKey |
AOEHZDPAUNJLAA-XARADAHVSA-N |
| Molecular Weight |
493.465 g/mol |
| SMILES |
[C@@]1([C@](O[C@]([C@@]([C@]1(OC(=O)C)[H])(N(C(C)=O)C(=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) |
0.970891 |
