| SpectraBase Compound ID | 3XVzOmI7ffY |
|---|---|
| InChI | InChI=1S/C10H13ClN2O/c1-3-12-10(14)13-9-7(2)5-4-6-8(9)11/h4-6H,3H2,1-2H3,(H2,12,13,14) |
| InChIKey | KRSIEZWWLUYRAO-UHFFFAOYSA-N |
| Mol Weight | 212.68 g/mol |
| Molecular Formula | C10H13ClN2O |
| Exact Mass | 212.071641 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 77pP7yii9fk |
|---|---|
| Name | 1-(6-Chloro-o-tolyl)-3-ethylurea |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.071640746 u |
| Formula | C10H13ClN2O |
| InChI | InChI=1S/C10H13ClN2O/c1-3-12-10(14)13-9-7(2)5-4-6-8(9)11/h4-6H,3H2,1-2H3,(H2,12,13,14) |
| InChIKey | KRSIEZWWLUYRAO-UHFFFAOYSA-N |
| SMILES | N(C1=C(C=CC=C1Cl)C)C(NCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.969471 |