| SpectraBase Spectrum ID |
1x8pQeArvWo |
| Name |
E-2,5-Anhydro-3-deoxy-4,6-di-o-benzyl-1-(2-nitrophenyl)-D-ribo-hex-1-enitol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
431.173272904 u |
| Formula |
C26H25NO5 |
| InChI |
InChI=1S/C26H25NO5/c28-27(29)24-14-8-7-13-22(24)15-23-16-25(31-18-21-11-5-2-6-12-21)26(32-23)19-30-17-20-9-3-1-4-10-20/h1-15,25-26H,16-19H2/b23-15+ |
| InChIKey |
ZPRSXEUYXWAHMZ-HZHRSRAPSA-N |
| Molecular Weight |
431.488 g/mol |
| SMILES |
C=1(N(=O)=O)C(\C=C/2OC(COCC3=CC=CC=C3)C(C2)OCC2=CC=CC=C2)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824941 |
