| SpectraBase Compound ID | KkXeAJJxQPZ |
|---|---|
| InChI | InChI=1S/C8H13FO3/c1-3-5-6(10)7(9)8(11)12-4-2/h3,5-7,10H,4H2,1-2H3/b5-3+ |
| InChIKey | BURLQUWREVLMKR-HWKANZROSA-N |
| Mol Weight | 176.19 g/mol |
| Molecular Formula | C8H13FO3 |
| Exact Mass | 176.084872 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5ayc1YYzC1F |
|---|---|
| Name | Ethyl 2-fluoro-3-hydroxy-4(E)-hexenoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.084872439 u |
| Formula | C8H13FO3 |
| InChI | InChI=1S/C8H13FO3/c1-3-5-6(10)7(9)8(11)12-4-2/h3,5-7,10H,4H2,1-2H3/b5-3+ |
| InChIKey | BURLQUWREVLMKR-HWKANZROSA-N |
| Molecular Weight | 176.187 g/mol |
| SMILES | C(C(=O)OCC)(C(\C=C\C)O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.837575 |