| SpectraBase Compound ID | 7c5Eo9aM8F1 |
|---|---|
| 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 |
| Mol Weight | 320.3 g/mol |
| Molecular Formula | C18H12N2O4 |
| Exact Mass | 320.079707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KyCV570qaLN |
|---|---|
| Name | 1,1':3',1''-Terphenyl, 2',4-dinitro- |
| Comments | Computed using HOSE algorithm |
| 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 |