| SpectraBase Spectrum ID |
8i5I5YfpEfY |
| Name |
2,3'-Dinitro-4,4',5,5'-tetramethylbiphenyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.111006999 u |
| Formula |
C16H16N2O4 |
| InChI |
InChI=1S/C16H16N2O4/c1-9-6-14(16(18(21)22)7-10(9)2)13-5-11(3)12(4)15(8-13)17(19)20/h5-8H,1-4H3 |
| InChIKey |
NVWSVAUKLYCQLC-UHFFFAOYSA-N |
| Molecular Weight |
300.314 g/mol |
| SMILES |
N(=O)(=O)C=1C(C2=CC(=C(C(=C2)C)C)N(=O)=O)=CC(=C(C1)C)C |
| Spectrum/Structure Validation Score (Raman) |
0.831519 |
