| SpectraBase Compound ID | BMVYnuCWzKK |
|---|---|
| InChI | InChI=1S/C9H11ClN2O/c1-11-9(13)12-6-7-2-4-8(10)5-3-7/h2-5H,6H2,1H3,(H2,11,12,13) |
| InChIKey | HVAYRAHLBHKAFM-UHFFFAOYSA-N |
| Mol Weight | 198.65 g/mol |
| Molecular Formula | C9H11ClN2O |
| Exact Mass | 198.055991 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | K4iBG1dDoVj |
|---|---|
| Name | N-(4-Chlorobenzyl)-N'-methylurea |
| 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/c1-11-9(13)12-6-7-2-4-8(10)5-3-7/h2-5H,6H2,1H3,(H2,11,12,13) |
| InChIKey | HVAYRAHLBHKAFM-UHFFFAOYSA-N |
| Molecular Weight | 198.653 g/mol |
| SMILES | C(NCC=1C=CC(Cl)=CC1)(=O)NC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936908 |