| SpectraBase Compound ID | BJSDSz56VkX |
|---|---|
| InChI | InChI=1S/C9H11ClN2O/c10-8-3-1-7(2-4-8)5-6-12-9(11)13/h1-4H,5-6H2,(H3,11,12,13) |
| InChIKey | VWHSIIMRLAFRSS-UHFFFAOYSA-N |
| Mol Weight | 198.65 g/mol |
| Molecular Formula | C9H11ClN2O |
| Exact Mass | 198.055991 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | iflFR9zwZ1 |
|---|---|
| Name | (p-Chlorophenethyl)urea |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.055990681 u |
| Formula | C9H11ClN2O |
| InChI | InChI=1S/C9H11ClN2O/c10-8-3-1-7(2-4-8)5-6-12-9(11)13/h1-4H,5-6H2,(H3,11,12,13) |
| InChIKey | VWHSIIMRLAFRSS-UHFFFAOYSA-N |
| SMILES | N(CCC1=CC=C(C=C1)Cl)C(N)=O |
| Spectrum/Structure Validation Score (Raman) | 0.983838 |