| SpectraBase Compound ID | B80LcXRrezy |
|---|---|
| InChI | InChI=1S/C9H10BrNO/c1-7(12)11(2)9-5-3-8(10)4-6-9/h3-6H,1-2H3 |
| InChIKey | JDWFXKUASRMYEO-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 | BR38o0wmiQu |
|---|---|
| Name | 4-Bromo-N-methylaniline, N-acetyl |
| 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(12)11(2)9-5-3-8(10)4-6-9/h3-6H,1-2H3 |
| InChIKey | JDWFXKUASRMYEO-UHFFFAOYSA-N |
| Molecular Weight | 228.089 g/mol |
| SMILES | C1(N(C)C(=O)C)=CC=C(C=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.862947 |