| SpectraBase Compound ID | HejGNOQZhOT |
|---|---|
| InChI | InChI=1S/C5H6BrNO/c6-4-2-1-3-7-5(4)8/h2H,1,3H2,(H,7,8) |
| InChIKey | XLMBRTWEFHUWRU-UHFFFAOYSA-N |
| Mol Weight | 176.01 g/mol |
| Molecular Formula | C5H6BrNO |
| Exact Mass | 174.963277 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | vD68hlIYpG |
|---|---|
| Name | 3-Bromo-5,6-dihydropyridin-2(1H)-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.963276816 u |
| Formula | C5H6BrNO |
| InChI | InChI=1S/C5H6BrNO/c6-4-2-1-3-7-5(4)8/h2H,1,3H2,(H,7,8) |
| InChIKey | XLMBRTWEFHUWRU-UHFFFAOYSA-N |
| Molecular Weight | 176.013 g/mol |
| SMILES | C1(C(=CCCN1)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.847541 |