| SpectraBase Compound ID | HfhgVBHxAtp |
|---|---|
| InChI | InChI=1S/C9H11BrN2O/c1-12(2)9(13)11-8-6-4-3-5-7(8)10/h3-6H,1-2H3,(H,11,13) |
| InChIKey | NMHZFBRZCLUVMN-UHFFFAOYSA-N |
| Mol Weight | 243.1 g/mol |
| Molecular Formula | C9H11BrN2O |
| Exact Mass | 242.005476 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KNgpMvSL8AT |
|---|---|
| Name | 3-(2-Bromophenyl)-1,1-dimethyl-urea |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.005475981 u |
| Formula | C9H11BrN2O |
| InChI | InChI=1S/C9H11BrN2O/c1-12(2)9(13)11-8-6-4-3-5-7(8)10/h3-6H,1-2H3,(H,11,13) |
| InChIKey | NMHZFBRZCLUVMN-UHFFFAOYSA-N |
| Molecular Weight | 243.104 g/mol |
| SMILES | C(N(C)C)(=O)NC=1C(=CC=CC1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.878756 |