| SpectraBase Compound ID | JBrCPZQhQu0 |
|---|---|
| InChI | InChI=1S/C14H14ClN3O2/c1-14(2,20-11-6-4-10(15)5-7-11)12(19)18-13-16-8-3-9-17-13/h3-9H,1-2H3,(H,16,17,18,19) |
| InChIKey | YEQSESIAZAQEST-UHFFFAOYSA-N |
| Mol Weight | 291.74 g/mol |
| Molecular Formula | C14H14ClN3O2 |
| Exact Mass | 291.077454 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JgXzq9DtHZ7 |
|---|---|
| Name | 2-(4-Chloro-phenoxy)-2-methyl-N-pyrimidin-2-yl-propionamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.077454401 u |
| Formula | C14H14ClN3O2 |
| InChI | InChI=1S/C14H14ClN3O2/c1-14(2,20-11-6-4-10(15)5-7-11)12(19)18-13-16-8-3-9-17-13/h3-9H,1-2H3,(H,16,17,18,19) |
| InChIKey | YEQSESIAZAQEST-UHFFFAOYSA-N |
| SMILES | C1=CC=NC(NC(C(OC2=CC=C(C=C2)Cl)(C)C)=O)=N1 |