![2,4-Pyrimidinediamine, 6-chloro-N4-[(2,4-dichlorophenyl)methyl]-](/api/spectrum/Gfi0cmnyhuh/structure.png?h=300&w=458 "2,4-Pyrimidinediamine, 6-chloro-N4-[(2,4-dichlorophenyl)methyl]-")
| SpectraBase Compound ID | GAjAqPxeRSa |
|---|---|
| InChI | InChI=1S/C11H9Cl3N4/c12-7-2-1-6(8(13)3-7)5-16-10-4-9(14)17-11(15)18-10/h1-4H,5H2,(H3,15,16,17,18) |
| InChIKey | YNKASPADUKTMJU-UHFFFAOYSA-N |
| Mol Weight | 303.58 g/mol |
| Molecular Formula | C11H9Cl3N4 |
| Exact Mass | 301.989279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gfi0cmnyhuh |
|---|---|
| Name | 2,4-Pyrimidinediamine, 6-chloro-N4-[(2,4-dichlorophenyl)methyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.989279406 u |
| Formula | C11H9Cl3N4 |
| InChI | InChI=1S/C11H9Cl3N4/c12-7-2-1-6(8(13)3-7)5-16-10-4-9(14)17-11(15)18-10/h1-4H,5H2,(H3,15,16,17,18) |
| InChIKey | YNKASPADUKTMJU-UHFFFAOYSA-N |
| SMILES | NC1=NC(=CC(=N1)NCC=1C(=CC(=CC1)Cl)Cl)Cl |