| SpectraBase Compound ID | KiQGEAQPBWg |
|---|---|
| InChI | InChI=1S/C23H33F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-30-23(29)17-18(24)20(26)22(28)21(27)19(17)25/h2-16H2,1H3 |
| InChIKey | GYEIVJTWZJPNEV-UHFFFAOYSA-N |
| Mol Weight | 436.5 g/mol |
| Molecular Formula | C23H33F5O2 |
| Exact Mass | 436.240071 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Xdjatya5C0 |
|---|---|
| Name | Hexadecyl 2,3,4,5,6-pentafluorobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 436.240071116 u |
| Formula | C23H33F5O2 |
| InChI | InChI=1S/C23H33F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-30-23(29)17-18(24)20(26)22(28)21(27)19(17)25/h2-16H2,1H3 |
| InChIKey | GYEIVJTWZJPNEV-UHFFFAOYSA-N |
| Molecular Weight | 436.507 g/mol |
| SMILES | C(CCCCCCCCCCCCCCOC(C1=C(C(=C(C(=C1F)F)F)F)F)=O)C |