| SpectraBase Compound ID | 148LevXGvIC |
|---|---|
| InChI | InChI=1S/C6H5FO4/c7-4(6(10)11)2-1-3-5(8)9/h1-3H,(H,8,9)(H,10,11)/b3-1+,4-2- |
| InChIKey | PTYIDKBTGREHJW-TZFCGSKZSA-N |
| Mol Weight | 160.1 g/mol |
| Molecular Formula | C6H5FO4 |
| Exact Mass | 160.017187 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LVCeG12Azd4 |
|---|---|
| Name | 2,4-Hexadienedioic acid, 2-fluoro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.017186800 u |
| Formula | C6H5FO4 |
| InChI | InChI=1S/C6H5FO4/c7-4(6(10)11)2-1-3-5(8)9/h1-3H,(H,8,9)(H,10,11)/b3-1+,4-2- |
| InChIKey | PTYIDKBTGREHJW-TZFCGSKZSA-N |
| Molecular Weight | 160.100 g/mol |
| SMILES | C(\C(=C\C=C\C(O)=O)F)(O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.994459 |