| SpectraBase Compound ID | LUA1YGWUbFW |
|---|---|
| InChI | InChI=1S/C13H11Cl2N3O2/c1-8(12(19)18-13-16-5-2-6-17-13)20-11-4-3-9(14)7-10(11)15/h2-8H,1H3,(H,16,17,18,19) |
| InChIKey | SLUKJXCZVAKLDK-UHFFFAOYSA-N |
| Mol Weight | 312.16 g/mol |
| Molecular Formula | C13H11Cl2N3O2 |
| Exact Mass | 311.022832 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3V451KsFXPK |
|---|---|
| Name | Propionamide, 2-(2,4-dichlorophenoxy)-N-pyrimidin-2-yl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.022832004 u |
| Formula | C13H11Cl2N3O2 |
| InChI | InChI=1S/C13H11Cl2N3O2/c1-8(12(19)18-13-16-5-2-6-17-13)20-11-4-3-9(14)7-10(11)15/h2-8H,1H3,(H,16,17,18,19) |
| InChIKey | SLUKJXCZVAKLDK-UHFFFAOYSA-N |
| Molecular Weight | 312.156 g/mol |
| SMILES | CC(C(NC1=NC=CC=N1)=O)OC1=C(C=C(C=C1)Cl)Cl |