| SpectraBase Compound ID | Cw31Kuh9ptU |
|---|---|
| InChI | InChI=1S/C12H17ClN2O/c1-4-15(5-2)12(16)14-11-9(3)7-6-8-10(11)13/h6-8H,4-5H2,1-3H3,(H,14,16) |
| InChIKey | YUOISWDBKRMUTK-UHFFFAOYSA-N |
| Mol Weight | 240.73 g/mol |
| Molecular Formula | C12H17ClN2O |
| Exact Mass | 240.102941 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5nWqih0iXqQ |
|---|---|
| Name | 3-(6-Chloro-o-tolyl)-1,1-diethylurea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.102940874 u |
| Formula | C12H17ClN2O |
| InChI | InChI=1S/C12H17ClN2O/c1-4-15(5-2)12(16)14-11-9(3)7-6-8-10(11)13/h6-8H,4-5H2,1-3H3,(H,14,16) |
| InChIKey | YUOISWDBKRMUTK-UHFFFAOYSA-N |
| Molecular Weight | 240.734 g/mol |
| SMILES | N(C1=C(C=CC=C1Cl)C)C(=O)N(CC)CC |