| SpectraBase Spectrum ID |
GQoEEiitwaC |
| Name |
2-o-Benzoyl-1,3,5-tri-o-p-toluoyl-.alpha.-D-ribofuranose |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
608.204632601 u |
| Formula |
C36H32O9 |
| InChI |
InChI=1S/C36H32O9/c1-22-9-15-26(16-10-22)32(37)41-21-29-30(43-34(39)27-17-11-23(2)12-18-27)31(44-33(38)25-7-5-4-6-8-25)36(42-29)45-35(40)28-19-13-24(3)14-20-28/h4-20,29-31,36H,21H2,1-3H3 |
| InChIKey |
WZKXEZUZHKFIMC-UHFFFAOYSA-N |
| Molecular Weight |
608.643 g/mol |
| SMILES |
C1=C(C=CC(=C1)C)C(OCC1C(OC(C2=CC=C(C)C=C2)=O)C(OC(C=2C=CC=CC2)=O)C(OC(C2=CC=C(C=C2)C)=O)O1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910512 |
