| SpectraBase Compound ID | 4b61kx97brF |
|---|---|
| InChI | InChI=1S/C20H23F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-27-20(26)14-15(21)17(23)19(25)18(24)16(14)22/h2-10,13H2,1H3 |
| InChIKey | OOSBOESRAMWXPK-UHFFFAOYSA-N |
| Mol Weight | 390.39 g/mol |
| Molecular Formula | C20H23F5O2 |
| Exact Mass | 390.161821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5OW0B5MiVuH |
|---|---|
| Name | Pentafluorobenzoic acid, tridec-2-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.161820794 u |
| Formula | C20H23F5O2 |
| InChI | InChI=1S/C20H23F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-27-20(26)14-15(21)17(23)19(25)18(24)16(14)22/h2-10,13H2,1H3 |
| InChIKey | OOSBOESRAMWXPK-UHFFFAOYSA-N |
| Molecular Weight | 390.394 g/mol |
| SMILES | C1(=C(C(=C(C(=C1F)C(=O)OCC#CCCCCCCCCCC)F)F)F)F |