| SpectraBase Spectrum ID |
3brLIwl60ev |
| Name |
2,3,5-tri-o-Acetyl-1-o-.beta.-nitrobenzoylribofuranose |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
425.095810425 u |
| Formula |
C18H19NO11 |
| InChI |
InChI=1S/C18H19NO11/c1-9(20)26-8-14-15(27-10(2)21)16(28-11(3)22)18(29-14)30-17(23)12-6-4-5-7-13(12)19(24)25/h4-7,14-16,18H,8H2,1-3H3 |
| InChIKey |
XCYNUADEDCEHDI-UHFFFAOYSA-N |
| Molecular Weight |
425.346 g/mol |
| SMILES |
C1(C(C(COC(C)=O)OC1OC(=O)C1=C(C=CC=C1)N(=O)=O)OC(C)=O)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.804775 |
