| SpectraBase Compound ID | 6aNaqaTrxKe |
|---|---|
| InChI | InChI=1S/C8H8Cl2N2O/c1-11-8(13)12-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H2,11,12,13) |
| InChIKey | IDQHRQQSSQDLTR-UHFFFAOYSA-N |
| Mol Weight | 219.07 g/mol |
| Molecular Formula | C8H8Cl2N2O |
| Exact Mass | 218.001368 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | JMOlS4ogDM0 |
|---|---|
| Name | 1-(3,4-Dichlorophenyl)-3-methylurea |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.001368285 u |
| Formula | C8H8Cl2N2O |
| InChI | InChI=1S/C8H8Cl2N2O/c1-11-8(13)12-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H2,11,12,13) |
| InChIKey | IDQHRQQSSQDLTR-UHFFFAOYSA-N |
| SMILES | N(C1=CC=C(C(=C1)Cl)Cl)C(NC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.796943 |