| SpectraBase Spectrum ID |
1ry30M7AhzX |
| Name |
1,1':4',1''-Terphenyl, 2,2''-dinitro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.079706870 u |
| Formula |
C18H12N2O4 |
| InChI |
InChI=1S/C18H12N2O4/c21-19(22)17-7-3-1-5-15(17)13-9-11-14(12-10-13)16-6-2-4-8-18(16)20(23)24/h1-12H |
| InChIKey |
BSSKKUUWEJVVLF-UHFFFAOYSA-N |
| Molecular Weight |
320.304 g/mol |
| SMILES |
C1(N(=O)=O)=CC=CC=C1C1=CC=C(C=2C=CC=CC2N(=O)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900108 |
