| SpectraBase Compound ID | CkGcoILw0wn |
|---|---|
| InChI | InChI=1S/C9H7FO2/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-4,7H,5H2 |
| InChIKey | DOCAFGYMGLQOIF-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 | 4CYih2xjI1J |
|---|---|
| Name | 3-Fluorochroman-4-one |
| 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/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-4,7H,5H2 |
| InChIKey | DOCAFGYMGLQOIF-UHFFFAOYSA-N |
| Molecular Weight | 166.151 g/mol |
| SMILES | C1(=O)C2=C(C=CC=C2)OCC1F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96013 |