| SpectraBase Spectrum ID |
I8UWAr0yQpV |
| Name |
1,1':3',1''-Terphenyl, 2',4-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)15-11-9-14(10-12-15)17-8-4-7-16(18(17)20(23)24)13-5-2-1-3-6-13/h1-12H |
| InChIKey |
TYJJTDOBMPFPEV-UHFFFAOYSA-N |
| Molecular Weight |
320.304 g/mol |
| SMILES |
C=1(N(=O)=O)C(C=2C=CC(N(=O)=O)=CC2)=CC=CC1C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938511 |
