| SpectraBase Compound ID | 1gc708qUxPq |
|---|---|
| InChI | InChI=1S/C22H31F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-29-22(28)16-17(23)19(25)21(27)20(26)18(16)24/h2-15H2,1H3 |
| InChIKey | KFQHASWIQOPIML-UHFFFAOYSA-N |
| Mol Weight | 422.48 g/mol |
| Molecular Formula | C22H31F5O2 |
| Exact Mass | 422.224421 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | YXK9JPjLkk |
|---|---|
| Name | Pentadecyl 2,3,4,5,6-pentafluorobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 422.224421051 u |
| Formula | C22H31F5O2 |
| InChI | InChI=1S/C22H31F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-29-22(28)16-17(23)19(25)21(27)20(26)18(16)24/h2-15H2,1H3 |
| InChIKey | KFQHASWIQOPIML-UHFFFAOYSA-N |
| Molecular Weight | 422.480 g/mol |
| SMILES | CCCCCCCCCCCCCCCOC(C1=C(C(=C(C(=C1F)F)F)F)F)=O |