| SpectraBase Compound ID | 2nyl0pOsgCs |
|---|---|
| InChI | InChI=1S/C8H7FOS/c1-11-7-3-2-6(5-10)8(9)4-7/h2-5H,1H3 |
| InChIKey | GRLQTWGORARDOB-UHFFFAOYSA-N |
| Mol Weight | 170.2 g/mol |
| Molecular Formula | C8H7FOS |
| Exact Mass | 170.020164 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EDZqNJAuGbj |
|---|---|
| Name | 2-Fluoro-4-(methylthio)benzaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.020164181 u |
| Formula | C8H7FOS |
| InChI | InChI=1S/C8H7FOS/c1-11-7-3-2-6(5-10)8(9)4-7/h2-5H,1H3 |
| InChIKey | GRLQTWGORARDOB-UHFFFAOYSA-N |
| Molecular Weight | 170.201 g/mol |
| SMILES | CSC=1C=CC(C=O)=C(F)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946812 |