| SpectraBase Compound ID | CyY6EjNy6XB |
|---|---|
| InChI | InChI=1S/C9H10BrClN2O/c10-7-2-1-3-8(6-7)13-9(14)12-5-4-11/h1-3,6H,4-5H2,(H2,12,13,14) |
| InChIKey | QEEZRSXYYLAZRZ-UHFFFAOYSA-N |
| Mol Weight | 277.55 g/mol |
| Molecular Formula | C9H10BrClN2O |
| Exact Mass | 275.966504 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kvp1asP6OQA |
|---|---|
| Name | 1-(3-Bromophenyl)-3-(2-chloroethyl)urea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.966503649 u |
| Formula | C9H10BrClN2O |
| InChI | InChI=1S/C9H10BrClN2O/c10-7-2-1-3-8(6-7)13-9(14)12-5-4-11/h1-3,6H,4-5H2,(H2,12,13,14) |
| InChIKey | QEEZRSXYYLAZRZ-UHFFFAOYSA-N |
| SMILES | C1(=CC(=CC=C1)Br)NC(NCCCl)=O |