| SpectraBase Compound ID | JMO6khbqsqs |
|---|---|
| InChI | InChI=1S/C9H10BrNO/c1-11(2)9(12)7-4-3-5-8(10)6-7/h3-6H,1-2H3 |
| InChIKey | CGEIMYMVLYZNRJ-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 | 3hX31lf4mLf |
|---|---|
| Name | Benzamide, 3-bromo-N,N-dimethyl- |
| 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/c1-11(2)9(12)7-4-3-5-8(10)6-7/h3-6H,1-2H3 |
| InChIKey | CGEIMYMVLYZNRJ-UHFFFAOYSA-N |
| Molecular Weight | 228.089 g/mol |
| SMILES | C1=CC=C(C=C1C(=O)N(C)C)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.842262 |