| SpectraBase Compound ID | 1c0eQunWk0N |
|---|---|
| InChI | InChI=1S/C9H5FO2/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5H |
| InChIKey | XRJUWENYVQKCDW-UHFFFAOYSA-N |
| Mol Weight | 164.14 g/mol |
| Molecular Formula | C9H5FO2 |
| Exact Mass | 164.027358 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Fr7wFen8XcW |
|---|---|
| Name | 3-Fluoranylchromen-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.027357562 u |
| Formula | C9H5FO2 |
| InChI | InChI=1S/C9H5FO2/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5H |
| InChIKey | XRJUWENYVQKCDW-UHFFFAOYSA-N |
| Molecular Weight | 164.135 g/mol |
| SMILES | C1(OC2=CC=CC=C2C=C1F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972518 |