| SpectraBase Compound ID | YUIX9cLfKF |
|---|---|
| InChI | InChI=1S/C13H12BrNO/c1-8-9(2)15-13(16)12(14)11(8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,15,16) |
| InChIKey | YCAUSVSCUBOMEM-UHFFFAOYSA-N |
| Mol Weight | 278.15 g/mol |
| Molecular Formula | C13H12BrNO |
| Exact Mass | 277.010227 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DpJ81zE7rX1 |
|---|---|
| Name | 3-Bromo-5,6-dimethyl-4-phenyl-2-pyridone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.010227009 u |
| Formula | C13H12BrNO |
| InChI | InChI=1S/C13H12BrNO/c1-8-9(2)15-13(16)12(14)11(8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,15,16) |
| InChIKey | YCAUSVSCUBOMEM-UHFFFAOYSA-N |
| SMILES | C1(=C(NC(C(=C1C1=CC=CC=C1)Br)=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.898346 |