| SpectraBase Compound ID | LFrsCP0ai75 |
|---|---|
| InChI | InChI=1S/C14H17ClN2O/c1-4-9-17(10-5-2)14(18)16-13-11(3)7-6-8-12(13)15/h4-8H,1-2,9-10H2,3H3,(H,16,18) |
| InChIKey | RCLHKTBCMLLGJW-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 | Ae8aAfidQvR |
|---|---|
| Name | 3-(6-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/c1-4-9-17(10-5-2)14(18)16-13-11(3)7-6-8-12(13)15/h4-8H,1-2,9-10H2,3H3,(H,16,18) |
| InChIKey | RCLHKTBCMLLGJW-UHFFFAOYSA-N |
| SMILES | N(C1=C(C=CC=C1Cl)C)C(N(CC=C)CC=C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.858574 |