![2-[p-Chloroanilino]-4,6-bis[trichloromethyl]-S-triazine](/api/spectrum/9ICbgoxIMbl/structure.png?h=300&w=458 "2-[p-Chloroanilino]-4,6-bis[trichloromethyl]-S-triazine")
| SpectraBase Compound ID | 8WhkweQYqDR |
|---|---|
| InChI | InChI=1S/C11H5Cl7N4/c12-5-1-3-6(4-2-5)19-9-21-7(10(13,14)15)20-8(22-9)11(16,17)18/h1-4H,(H,19,20,21,22) |
| InChIKey | UZDPFFRSRRWULB-UHFFFAOYSA-N |
| Mol Weight | 441.4 g/mol |
| Molecular Formula | C11H5Cl7N4 |
| Exact Mass | 437.83339 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ICbgoxIMbl |
|---|---|
| Name | 2-[p-Chloroanilino]-4,6-bis[trichloromethyl]-S-triazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 437.833390077 u |
| Formula | C11H5Cl7N4 |
| InChI | InChI=1S/C11H5Cl7N4/c12-5-1-3-6(4-2-5)19-9-21-7(10(13,14)15)20-8(22-9)11(16,17)18/h1-4H,(H,19,20,21,22) |
| InChIKey | UZDPFFRSRRWULB-UHFFFAOYSA-N |
| Molecular Weight | 441.360 g/mol |
| SMILES | C1(=NC(C(Cl)(Cl)Cl)=NC(=N1)NC1=CC=C(C=C1)Cl)C(Cl)(Cl)Cl |