| SpectraBase Compound ID | 2UDoWtS1Z6g |
|---|---|
| InChI | InChI=1S/C6H3FO2/c7-5-3-4(8)1-2-6(5)9/h1-3H |
| InChIKey | XHKUTQNVGAHLPK-UHFFFAOYSA-N |
| Mol Weight | 126.09 g/mol |
| Molecular Formula | C6H3FO2 |
| Exact Mass | 126.011707 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7StXfEujoDI |
|---|---|
| Name | 2-Fluoranylcyclohexa-2,5-diene-1,4-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.011707498 u |
| Formula | C6H3FO2 |
| InChI | InChI=1S/C6H3FO2/c7-5-3-4(8)1-2-6(5)9/h1-3H |
| InChIKey | XHKUTQNVGAHLPK-UHFFFAOYSA-N |
| Molecular Weight | 126.086 g/mol |
| SMILES | C1(=CC(=O)C=CC1=O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955312 |