| SpectraBase Compound ID | GLQWXs8Td6i |
|---|---|
| InChI | InChI=1S/C13H14Cl2N2O/c1-3-7-17(8-4-2)13(18)16-10-5-6-11(14)12(15)9-10/h3-6,9H,1-2,7-8H2,(H,16,18) |
| InChIKey | VTKYMMZQVMZTOU-UHFFFAOYSA-N |
| Mol Weight | 285.17 g/mol |
| Molecular Formula | C13H14Cl2N2O |
| Exact Mass | 284.048318 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3I21wTiKzJh |
|---|---|
| Name | 1,1-Diallyl-3-(3,4-dichlorophenyl)urea |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.048318478 u |
| Formula | C13H14Cl2N2O |
| InChI | InChI=1S/C13H14Cl2N2O/c1-3-7-17(8-4-2)13(18)16-10-5-6-11(14)12(15)9-10/h3-6,9H,1-2,7-8H2,(H,16,18) |
| InChIKey | VTKYMMZQVMZTOU-UHFFFAOYSA-N |
| SMILES | N(C1=CC=C(C(=C1)Cl)Cl)C(N(CC=C)CC=C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.857833 |