| SpectraBase Compound ID | 7TfYQc5WNuj |
|---|---|
| InChI | InChI=1S/C20H33FO4/c1-2-3-4-5-6-7-8-9-10-11-12-17-24-19(22)14-13-15-20(23)25-18-16-21/h2-10,13-18H2,1H3 |
| InChIKey | QFCHFMRADNWQGM-UHFFFAOYSA-N |
| Mol Weight | 356.5 g/mol |
| Molecular Formula | C20H33FO4 |
| Exact Mass | 356.236288 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 54hpwW10HsF |
|---|---|
| Name | Glutaric acid, tridec-2-yn-1-yl 2-fluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.236287702 u |
| Formula | C20H33FO4 |
| InChI | InChI=1S/C20H33FO4/c1-2-3-4-5-6-7-8-9-10-11-12-17-24-19(22)14-13-15-20(23)25-18-16-21/h2-10,13-18H2,1H3 |
| InChIKey | QFCHFMRADNWQGM-UHFFFAOYSA-N |
| Molecular Weight | 356.478 g/mol |
| SMILES | C(CCC(OCC#CCCCCCCCCCC)=O)C(OCCF)=O |