| SpectraBase Spectrum ID |
JFHJqM81IhN |
| Name |
2,2'-Dinitro-3,3',4,4',5,5'-hexamethylbiphenyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.142307128 u |
| Formula |
C18H20N2O4 |
| InChI |
InChI=1S/C18H20N2O4/c1-9-7-15(17(19(21)22)13(5)11(9)3)16-8-10(2)12(4)14(6)18(16)20(23)24/h7-8H,1-6H3 |
| InChIKey |
WSCHXRRLUWMYCQ-UHFFFAOYSA-N |
| SMILES |
N(=O)(=O)C=1C(C2=CC(=C(C(=C2N(=O)=O)C)C)C)=CC(=C(C1C)C)C |
| Spectrum/Structure Validation Score (Raman) |
0.920058 |
