| SpectraBase Spectrum ID |
8HVcPyRqgtU |
| Name |
1,3,5-o-tri-p-Nitrobenzoyl-2-o-benzyl-D-arabinose |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
687.133652483 u |
| Formula |
C33H25N3O14 |
| InChI |
InChI=1S/C33H25N3O14/c37-30(21-6-12-24(13-7-21)34(40)41)47-19-27-28(49-31(38)22-8-14-25(15-9-22)35(42)43)29(46-18-20-4-2-1-3-5-20)33(48-27)50-32(39)23-10-16-26(17-11-23)36(44)45/h1-17,27-29,33H,18-19H2 |
| InChIKey |
BBJHLULGQRJIQT-UHFFFAOYSA-N |
| Molecular Weight |
687.570 g/mol |
| SMILES |
C1(C(C(COC(=O)C2=CC=C(C=C2)N(=O)=O)OC1OC(=O)C1=CC=C(C=C1)N(=O)=O)OC(=O)C1=CC=C(C=C1)N(=O)=O)OCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958465 |
