![N-[3,4-Dichlorophenyl]-4-[trichloromethyl]-2-pyrimidinamine](/api/spectrum/KIzu7UpSNXb/structure.png?h=300&w=458 "N-[3,4-Dichlorophenyl]-4-[trichloromethyl]-2-pyrimidinamine")
| SpectraBase Compound ID | G0WWlaJqIs6 |
|---|---|
| InChI | InChI=1S/C11H6Cl5N3/c12-7-2-1-6(5-8(7)13)18-10-17-4-3-9(19-10)11(14,15)16/h1-5H,(H,17,18,19) |
| InChIKey | DMKONNMDEMLMEX-UHFFFAOYSA-N |
| Mol Weight | 357.5 g/mol |
| Molecular Formula | C11H6Cl5N3 |
| Exact Mass | 354.900436 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KIzu7UpSNXb |
|---|---|
| Name | N-[3,4-Dichlorophenyl]-4-[trichloromethyl]-2-pyrimidinamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.900435705 u |
| Formula | C11H6Cl5N3 |
| InChI | InChI=1S/C11H6Cl5N3/c12-7-2-1-6(5-8(7)13)18-10-17-4-3-9(19-10)11(14,15)16/h1-5H,(H,17,18,19) |
| InChIKey | DMKONNMDEMLMEX-UHFFFAOYSA-N |
| Molecular Weight | 357.455 g/mol |
| SMILES | C1(=NC=CC(=N1)C(Cl)(Cl)Cl)NC1=CC(=C(C=C1)Cl)Cl |