| SpectraBase Compound ID | 9vNas7u4fkT |
|---|---|
| InChI | InChI=1S/C6H6FNO/c1-8-4-5(7)2-3-6(8)9/h2-4H,1H3 |
| InChIKey | MZSVPTRXUHRPHP-UHFFFAOYSA-N |
| Mol Weight | 127.12 g/mol |
| Molecular Formula | C6H6FNO |
| Exact Mass | 127.043342 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1lBpNHMv9PE |
|---|---|
| Name | 5-Fluoro-1-methylpyridin-2(1H)-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 127.043341979 u |
| Formula | C6H6FNO |
| InChI | InChI=1S/C6H6FNO/c1-8-4-5(7)2-3-6(8)9/h2-4H,1H3 |
| InChIKey | MZSVPTRXUHRPHP-UHFFFAOYSA-N |
| Molecular Weight | 127.118 g/mol |
| SMILES | C1(F)=CN(C(=O)C=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969207 |