| SpectraBase Compound ID | 2Jxt447leNc |
|---|---|
| InChI | InChI=1S/C13H19FO4/c1-3-6-11(4-2)18-13(16)8-5-7-12(15)17-10-9-14/h11H,4-5,7-10H2,1-2H3 |
| InChIKey | BECHCUNYJRPELH-UHFFFAOYSA-N |
| Mol Weight | 258.29 g/mol |
| Molecular Formula | C13H19FO4 |
| Exact Mass | 258.126737 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AN3LYrcQlT7 |
|---|---|
| Name | Glutaric acid, hex-4-yn-3-yl 2-fluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.126737251 u |
| Formula | C13H19FO4 |
| InChI | InChI=1S/C13H19FO4/c1-3-6-11(4-2)18-13(16)8-5-7-12(15)17-10-9-14/h11H,4-5,7-10H2,1-2H3 |
| InChIKey | BECHCUNYJRPELH-UHFFFAOYSA-N |
| Molecular Weight | 258.289 g/mol |
| SMILES | C(CCC(OC(CC)C#CC)=O)C(OCCF)=O |