| SpectraBase Spectrum ID |
KIMgMPV8buF |
| Name |
.beta.-Methyl-2-o-benzyl-3,5-o-di-p-nitrobenzoyl-D-arabinofursnose |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
552.138009590 u |
| Formula |
C27H24N2O11 |
| InChI |
InChI=1S/C27H24N2O11/c1-36-27-24(37-15-17-5-3-2-4-6-17)23(40-26(31)19-9-13-21(14-10-19)29(34)35)22(39-27)16-38-25(30)18-7-11-20(12-8-18)28(32)33/h2-14,22-24,27H,15-16H2,1H3 |
| InChIKey |
FOHCZFIFVVCWPX-UHFFFAOYSA-N |
| Molecular Weight |
552.492 g/mol |
| SMILES |
C1(C(C(COC(C2=CC=C(C=C2)N(=O)=O)=O)OC1OC)OC(C1=CC=C(C=C1)N(=O)=O)=O)OCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901073 |
