| SpectraBase Compound ID | KPYon4iw0dT |
|---|---|
| InChI | InChI=1S/C9H10BrNO/c1-7-2-4-8(5-3-7)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12) |
| InChIKey | PJQGCAMZLLGJBY-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 | 7a0YaiRtmUm |
|---|---|
| Name | 2-Bromo-N-(4-methylphenyl)acetamide |
| 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/c1-7-2-4-8(5-3-7)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12) |
| InChIKey | PJQGCAMZLLGJBY-UHFFFAOYSA-N |
| Molecular Weight | 228.089 g/mol |
| SMILES | C(CBr)(=O)NC1=CC=C(C=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960662 |