| SpectraBase Compound ID | 4QdvzVMTiQb |
|---|---|
| InChI | InChI=1S/C9H7FOS/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-3H,4-5H2 |
| InChIKey | DLPXAUNBZAYCFB-UHFFFAOYSA-N |
| Mol Weight | 182.21 g/mol |
| Molecular Formula | C9H7FOS |
| Exact Mass | 182.020164 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8ThmXVTvrqM |
|---|---|
| Name | 8-Fluoro-2,3-dihydro-4H-thiochromen-4-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.020164181 u |
| Formula | C9H7FOS |
| InChI | InChI=1S/C9H7FOS/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-3H,4-5H2 |
| InChIKey | DLPXAUNBZAYCFB-UHFFFAOYSA-N |
| Molecular Weight | 182.212 g/mol |
| SMILES | C1(F)=C2C(=CC=C1)C(=O)CCS2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950502 |