| SpectraBase Compound ID | KbAb0cPYSAT |
|---|---|
| InChI | InChI=1S/C7H5FO3/c8-5-1-4(3-9)2-6(10)7(5)11/h1-3,10-11H |
| InChIKey | AFSUIFYFQDSKPC-UHFFFAOYSA-N |
| Mol Weight | 156.11 g/mol |
| Molecular Formula | C7H5FO3 |
| Exact Mass | 156.022272 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HU34X8839ZE |
|---|---|
| Name | Benzaldehyde, 3-fluoro-4,5-dihydroxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.022272181 u |
| Formula | C7H5FO3 |
| InChI | InChI=1S/C7H5FO3/c8-5-1-4(3-9)2-6(10)7(5)11/h1-3,10-11H |
| InChIKey | AFSUIFYFQDSKPC-UHFFFAOYSA-N |
| Molecular Weight | 156.112 g/mol |
| SMILES | C1=C(C=C(C(=C1F)O)O)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.978467 |