| SpectraBase Compound ID | AWQvsAvOK1L |
|---|---|
| InChI | InChI=1S/C11H9ClN4O/c12-8-3-1-4-9(7-8)15-11(17)16-10-13-5-2-6-14-10/h1-7H,(H2,13,14,15,16,17) |
| InChIKey | LQRAHKARGZOZSN-UHFFFAOYSA-N |
| Mol Weight | 248.67 g/mol |
| Molecular Formula | C11H9ClN4O |
| Exact Mass | 248.046489 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bg5vj7NnMwL |
|---|---|
| Name | N-(3-Chlorophenyl)-N'-(2-pyrimidinyl)urea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.046488625 u |
| Formula | C11H9ClN4O |
| InChI | InChI=1S/C11H9ClN4O/c12-8-3-1-4-9(7-8)15-11(17)16-10-13-5-2-6-14-10/h1-7H,(H2,13,14,15,16,17) |
| InChIKey | LQRAHKARGZOZSN-UHFFFAOYSA-N |
| SMILES | N(C(NC1=CC(Cl)=CC=C1)=O)C=1N=CC=CN1 |