| SpectraBase Spectrum ID |
HvILtJzfvnM |
| Name |
2,3,4,5-Tetra-o-acetyl-6-o-methyl-D-gluconitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
359.121631251 u |
| Formula |
C15H21NO9 |
| InChI |
InChI=1S/C15H21NO9/c1-8(17)22-12(6-16)14(24-10(3)19)15(25-11(4)20)13(7-21-5)23-9(2)18/h12-15H,7H2,1-5H3 |
| InChIKey |
DTVHZSXBTMLILO-UHFFFAOYSA-N |
| Molecular Weight |
359.331 g/mol |
| SMILES |
C(C(C(C(COC)OC(=O)C)OC(C)=O)OC(=O)C)(OC(C)=O)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959083 |
