| SpectraBase Spectrum ID |
CBOkFeXNdCg |
| Name |
Acetamide, N-(3,4,6-tri-o-acetyl-2-chloro-2-deoxy-.beta.-D-glucopyranosyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
365.087744300 u |
| Formula |
C14H20ClNO8 |
| InChI |
InChI=1S/C14H20ClNO8/c1-6(17)16-14-11(15)13(23-9(4)20)12(22-8(3)19)10(24-14)5-21-7(2)18/h10-14H,5H2,1-4H3,(H,16,17)/t10-,11-,12-,13-,14-/m1/s1 |
| InChIKey |
SKOMUXDFQHBONR-DHGKCCLASA-N |
| Molecular Weight |
365.766 g/mol |
| SMILES |
[C@@]1([C@]([C@](NC(=O)C)(O[C@@]([C@]1(OC(=O)C)[H])(COC(=O)C)[H])[H])(Cl)[H])(OC(=O)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975326 |
