| SpectraBase Spectrum ID |
CT66DEAwSi0 |
| Name |
6-Isopropyl-2,3-bis(4-nitrobenzyloxy)tropone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
450.142701049 u |
| Formula |
C24H22N2O7 |
| InChI |
InChI=1S/C24H22N2O7/c1-16(2)19-7-12-23(32-14-17-3-8-20(9-4-17)25(28)29)24(22(27)13-19)33-15-18-5-10-21(11-6-18)26(30)31/h3-13,16H,14-15H2,1-2H3 |
| InChIKey |
RZGNHVAMVNULOB-UHFFFAOYSA-N |
| Molecular Weight |
450.447 g/mol |
| SMILES |
C=1(C(C=C(C(C)C)C=CC1OCC=1C=CC(N(=O)=O)=CC1)=O)OCC=1C=CC(N(=O)=O)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90291 |
