| SpectraBase Compound ID | Is46aMLpBP3 |
|---|---|
| InChI | InChI=1S/C18H12N4O6/c23-20(24)16-7-1-13(2-8-16)19(14-3-9-17(10-4-14)21(25)26)15-5-11-18(12-6-15)22(27)28/h1-12H |
| InChIKey | LSNJBIDKQIRWRQ-UHFFFAOYSA-N |
| Mol Weight | 380.32 g/mol |
| Molecular Formula | C18H12N4O6 |
| Exact Mass | 380.075684 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LtjenCardDb |
|---|---|
| Name | Tris(4-nitrophenyl)amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.075684116 u |
| Formula | C18H12N4O6 |
| InChI | InChI=1S/C18H12N4O6/c23-20(24)16-7-1-13(2-8-16)19(14-3-9-17(10-4-14)21(25)26)15-5-11-18(12-6-15)22(27)28/h1-12H |
| InChIKey | LSNJBIDKQIRWRQ-UHFFFAOYSA-N |
| Molecular Weight | 380.316 g/mol |
| SMILES | N(=O)(=O)C=1C=CC(N(C=2C=CC(=CC2)N(=O)=O)C=2C=CC(=CC2)N(=O)=O)=CC1 |