| SpectraBase Compound ID | L3c1NTrZIUD |
|---|---|
| InChI | InChI=1S/C14H17ClN2O/c1-4-8-17(9-5-2)14(18)16-13-10-12(15)7-6-11(13)3/h4-7,10H,1-2,8-9H2,3H3,(H,16,18) |
| InChIKey | WQTAOVKAJSHBDT-UHFFFAOYSA-N |
| Mol Weight | 264.76 g/mol |
| Molecular Formula | C14H17ClN2O |
| Exact Mass | 264.102941 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9nlFMU6ki9x |
|---|---|
| Name | 3-(5-Chloro-o-tolyl)-1,1-diallylurea |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.102940874 u |
| Formula | C14H17ClN2O |
| InChI | InChI=1S/C14H17ClN2O/c1-4-8-17(9-5-2)14(18)16-13-10-12(15)7-6-11(13)3/h4-7,10H,1-2,8-9H2,3H3,(H,16,18) |
| InChIKey | WQTAOVKAJSHBDT-UHFFFAOYSA-N |
| SMILES | N(C1=CC(=CC=C1C)Cl)C(N(CC=C)CC=C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.776787 |