| SpectraBase Compound ID | EsEF5kZzDkO |
|---|---|
| InChI | InChI=1S/C9H7FO2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h2-3,5H,1,4H2 |
| InChIKey | VUTSCRNPMNTQSK-UHFFFAOYSA-N |
| Mol Weight | 166.15 g/mol |
| Molecular Formula | C9H7FO2 |
| Exact Mass | 166.043008 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6Bymmv8Fy49 |
|---|---|
| Name | 3,4-Dihydro-6-fluorocoumarin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.043007626 u |
| Formula | C9H7FO2 |
| InChI | InChI=1S/C9H7FO2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h2-3,5H,1,4H2 |
| InChIKey | VUTSCRNPMNTQSK-UHFFFAOYSA-N |
| Molecular Weight | 166.151 g/mol |
| SMILES | C1=C2C(=CC=C1F)OC(CC2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944729 |