| SpectraBase Compound ID | 9B2s8kpW7f6 |
|---|---|
| InChI | InChI=1S/C9H10BrNO/c10-7-6-9(12)11-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12) |
| InChIKey | LPVAUTDBCYXZCP-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 | 2A34Qeuo4wd |
|---|---|
| Name | Propanamide, 3-bromo-N-phenyl- |
| 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/c10-7-6-9(12)11-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12) |
| InChIKey | LPVAUTDBCYXZCP-UHFFFAOYSA-N |
| Molecular Weight | 228.089 g/mol |
| SMILES | C1=C(C=CC=C1)NC(=O)CCBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.921878 |