| SpectraBase Spectrum ID |
H6sYCy8XgWC |
| Name |
2-o-Benzyl-3,5-di-o-p-nitrobenzoyl-D-arabinose |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
522.127444906 u |
| Formula |
C26H22N2O10 |
| InChI |
InChI=1S/C26H22N2O10/c29-25(18-6-10-20(11-7-18)27(31)32)37-16-23-24(22(15-36-23)35-14-17-4-2-1-3-5-17)38-26(30)19-8-12-21(13-9-19)28(33)34/h1-13,22-24H,14-16H2 |
| InChIKey |
MBRSEGSGIXJOJL-UHFFFAOYSA-N |
| Molecular Weight |
522.466 g/mol |
| SMILES |
C1=C(C=CC(=C1)N(=O)=O)C(OCC1C(C(CO1)OCC1=CC=CC=C1)OC(C1=CC=C(N(=O)=O)C=C1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.982843 |
