| SpectraBase Compound ID | ieyL7aFtyg |
|---|---|
| InChI | InChI=1S/C18H13N3O4/c22-20(23)17-10-6-15(7-11-17)19(14-4-2-1-3-5-14)16-8-12-18(13-9-16)21(24)25/h1-13H |
| InChIKey | NKZATZDYEKDQLV-UHFFFAOYSA-N |
| Mol Weight | 335.32 g/mol |
| Molecular Formula | C18H13N3O4 |
| Exact Mass | 335.090606 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FvAHVNgDrwM |
|---|---|
| Name | 4,4'-Dinitrotriphenylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.090605907 u |
| Formula | C18H13N3O4 |
| InChI | InChI=1S/C18H13N3O4/c22-20(23)17-10-6-15(7-11-17)19(14-4-2-1-3-5-14)16-8-12-18(13-9-16)21(24)25/h1-13H |
| InChIKey | NKZATZDYEKDQLV-UHFFFAOYSA-N |
| Molecular Weight | 335.319 g/mol |
| SMILES | C1(N(=O)=O)=CC=C(N(C2=CC=C(N(=O)=O)C=C2)C=2C=CC=CC2)C=C1 |