| SpectraBase Compound ID | 5FBdqYyglJO |
|---|---|
| InChI | InChI=1S/C9H10BrNO/c1-5-3-6(2)8(9(11)12)7(10)4-5/h3-4H,1-2H3,(H2,11,12) |
| InChIKey | ZKFRKHOFZQHTEF-UHFFFAOYSA-N |
| Mol Weight | 228.09 g/mol |
| Molecular Formula | C9H10BrNO |
| Exact Mass | 226.994577 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FlM4Sud0MXR |
|---|---|
| Name | 2-Bromo-4,6-dimethylbenzamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.994576945 u |
| Formula | C9H10BrNO |
| InChI | InChI=1S/C9H10BrNO/c1-5-3-6(2)8(9(11)12)7(10)4-5/h3-4H,1-2H3,(H2,11,12) |
| InChIKey | ZKFRKHOFZQHTEF-UHFFFAOYSA-N |
| Molecular Weight | 228.089 g/mol |
| SMILES | C1=C(C(=C(C=C1C)C)C(=O)N)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.916626 |