| SpectraBase Spectrum ID |
BXPloPO8Cji |
| Name |
1,1':3',1'':3'',1'''-quaterphenyl, 4'',6'-bis(2,2-dimethylpropoxy)-2',2''-dinitro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
568.257336881 u |
| Formula |
C34H36N2O6 |
| InChI |
InChI=1S/C34H36N2O6/c1-33(2,3)21-41-27-19-17-25(31(35(37)38)29(27)23-13-9-7-10-14-23)26-18-20-28(42-22-34(4,5)6)30(32(26)36(39)40)24-15-11-8-12-16-24/h7-20H,21-22H2,1-6H3 |
| InChIKey |
CSPFGFTWJSJQLP-UHFFFAOYSA-N |
| Molecular Weight |
568.670 g/mol |
| SMILES |
C1(=C(C=2C(N(=O)=O)=C(C=3C=CC=CC3)C(=CC2)OCC(C)(C)C)C=CC(=C1C1=CC=CC=C1)OCC(C)(C)C)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92988 |
