| SpectraBase Compound ID | 8lvBlz4qyip |
|---|---|
| InChI | InChI=1S/C6H4F2S/c7-4-1-5(8)3-6(9)2-4/h1-3,9H |
| InChIKey | LFYVNHDFVIPZHV-UHFFFAOYSA-N |
| Mol Weight | 146.15 g/mol |
| Molecular Formula | C6H4F2S |
| Exact Mass | 146.000178 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DBDCnNeVNwb |
|---|---|
| Name | 3,5-Difluorothiophenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 146.000177629 u |
| Formula | C6H4F2S |
| InChI | InChI=1S/C6H4F2S/c7-4-1-5(8)3-6(9)2-4/h1-3,9H |
| InChIKey | LFYVNHDFVIPZHV-UHFFFAOYSA-N |
| Molecular Weight | 146.155 g/mol |
| SMILES | C1(F)=CC(=CC(=C1)S)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.88851 |