| SpectraBase Spectrum ID |
43iDlhJdMqR |
| Name |
2-o-Benzyl 3,5-di-p-nitrobenzoyl-D-arabinoside |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
538.122359525 u |
| Formula |
C26H22N2O11 |
| InChI |
InChI=1S/C26H22N2O11/c29-24(17-6-10-19(11-7-17)27(32)33)37-15-21-22(39-25(30)18-8-12-20(13-9-18)28(34)35)23(26(31)38-21)36-14-16-4-2-1-3-5-16/h1-13,21-23,26,31H,14-15H2 |
| InChIKey |
BEWVYGIHUQSBOX-UHFFFAOYSA-N |
| Molecular Weight |
538.465 g/mol |
| SMILES |
C1(C(C(COC(C2=CC=C(N(=O)=O)C=C2)=O)OC1O)OC(=O)C=1C=CC(=CC1)N(=O)=O)OCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943782 |
