| SpectraBase Compound ID | 9JOQdVFNRzP |
|---|---|
| InChI | InChI=1S/C18H21F5O2/c1-2-3-4-5-6-7-8-9-10-11-25-18(24)12-13(19)15(21)17(23)16(22)14(12)20/h9-10H,2-8,11H2,1H3/b10-9+ |
| InChIKey | MFMYOCNWFRJXBK-MDZDMXLPSA-N |
| Mol Weight | 364.36 g/mol |
| Molecular Formula | C18H21F5O2 |
| Exact Mass | 364.146171 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6MNY7IsgANJ |
|---|---|
| Name | Pentafluorobenzoic acid, undec-2-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.146170729 u |
| Formula | C18H21F5O2 |
| InChI | InChI=1S/C18H21F5O2/c1-2-3-4-5-6-7-8-9-10-11-25-18(24)12-13(19)15(21)17(23)16(22)14(12)20/h9-10H,2-8,11H2,1H3/b10-9+ |
| InChIKey | MFMYOCNWFRJXBK-MDZDMXLPSA-N |
| Molecular Weight | 364.356 g/mol |
| SMILES | C1(=C(C(=C(C(=C1F)C(=O)OC\C=C\CCCCCCCC)F)F)F)F |