| SpectraBase Compound ID | LVujD6EqBks |
|---|---|
| InChI | InChI=1S/C18H13N3O4/c22-20(23)16-10-11-17(18(12-16)21(24)25)19-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,19H |
| InChIKey | GDFFMQWMZCXBNT-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 | 1Iwsin6thUX |
|---|---|
| Name | 4-Biphenylamine, N-(2,4-dinitrophenyl)- |
| 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)16-10-11-17(18(12-16)21(24)25)19-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,19H |
| InChIKey | GDFFMQWMZCXBNT-UHFFFAOYSA-N |
| Molecular Weight | 335.319 g/mol |
| SMILES | C1=CC(C2=CC=C(C=C2)NC2=CC=C(C=C2N(=O)=O)N(=O)=O)=CC=C1 |