| SpectraBase Compound ID | ECMAPResZfY |
|---|---|
| InChI | InChI=1S/C7H7ClN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11) |
| InChIKey | RECCURWJDVZHIH-UHFFFAOYSA-N |
| Mol Weight | 170.6 g/mol |
| Molecular Formula | C7H7ClN2O |
| Exact Mass | 170.024691 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 69mLsN0Gl07 |
|---|---|
| Name | (p-Chlorophenyl)urea |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.024690552 u |
| Formula | C7H7ClN2O |
| InChI | InChI=1S/C7H7ClN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11) |
| InChIKey | RECCURWJDVZHIH-UHFFFAOYSA-N |
| SMILES | N(C1=CC=C(C=C1)Cl)C(N)=O |
| Spectrum/Structure Validation Score (Raman) | 0.801081 |