| SpectraBase Spectrum ID |
FUvXPfSIa13 |
| Name |
Tetraacetyl-D-xylonic nitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
343.090331122 u |
| Formula |
C14H17NO9 |
| InChI |
InChI=1S/C14H17NO9/c1-7(16)21-6-12(22-8(2)17)14(24-10(4)19)13(11(20)5-15)23-9(3)18/h12-14H,6H2,1-4H3 |
| InChIKey |
UJBBVYYPLDKALG-UHFFFAOYSA-N |
| Molecular Weight |
343.288 g/mol |
| SMILES |
C(=O)(C#N)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)COC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976909 |
