| SpectraBase Compound ID | 3sQ8rxMI3w3 |
|---|---|
| InChI | InChI=1S/C12H12ClN3O3/c1-7-5-11(16-19-7)15-12(17)14-9-6-8(13)3-4-10(9)18-2/h3-6H,1-2H3,(H2,14,15,16,17) |
| InChIKey | OUFKLBMVWQMDQO-UHFFFAOYSA-N |
| Mol Weight | 281.7 g/mol |
| Molecular Formula | C12H12ClN3O3 |
| Exact Mass | 281.056719 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CWxG2dcrZBW |
|---|---|
| Name | N-(5-Chloro-2-methoxyphenyl)-N'-(5-methyl-3-isoxazolyl)urea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.056718955 u |
| Formula | C12H12ClN3O3 |
| InChI | InChI=1S/C12H12ClN3O3/c1-7-5-11(16-19-7)15-12(17)14-9-6-8(13)3-4-10(9)18-2/h3-6H,1-2H3,(H2,14,15,16,17) |
| InChIKey | OUFKLBMVWQMDQO-UHFFFAOYSA-N |
| SMILES | C1(Cl)=CC(=C(C=C1)OC)NC(=O)NC1=NOC(=C1)C |