| SpectraBase Compound ID | K1x7qFeZFKv |
|---|---|
| InChI | InChI=1S/C17H19FO4/c1-3-7-14(4-2)21-16(19)10-6-11-17(20)22-15-9-5-8-13(18)12-15/h5,8-9,12,14H,4,6,10-11H2,1-2H3 |
| InChIKey | OEFBFBJWIXTRSM-UHFFFAOYSA-N |
| Mol Weight | 306.33 g/mol |
| Molecular Formula | C17H19FO4 |
| Exact Mass | 306.126737 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DhL2xgJfSTX |
|---|---|
| Name | Glutaric acid, hex-4-yn-3-yl 3-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.126737251 u |
| Formula | C17H19FO4 |
| InChI | InChI=1S/C17H19FO4/c1-3-7-14(4-2)21-16(19)10-6-11-17(20)22-15-9-5-8-13(18)12-15/h5,8-9,12,14H,4,6,10-11H2,1-2H3 |
| InChIKey | OEFBFBJWIXTRSM-UHFFFAOYSA-N |
| Molecular Weight | 306.333 g/mol |
| SMILES | C(CCC(OC(CC)C#CC)=O)C(OC1=CC=CC(=C1)F)=O |