| SpectraBase Compound ID | 2DEiSc6LQVN |
|---|---|
| InChI | InChI=1S/C24H35F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-31-24(30)18-19(25)21(27)23(29)22(28)20(18)26/h2-17H2,1H3 |
| InChIKey | WABFNNSJSBTAJL-UHFFFAOYSA-N |
| Mol Weight | 450.5 g/mol |
| Molecular Formula | C24H35F5O2 |
| Exact Mass | 450.255721 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Ny36N59UUy |
|---|---|
| Name | Heptadecyl 2,3,4,5,6-pentafluorobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 450.255721180 u |
| Formula | C24H35F5O2 |
| InChI | InChI=1S/C24H35F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-31-24(30)18-19(25)21(27)23(29)22(28)20(18)26/h2-17H2,1H3 |
| InChIKey | WABFNNSJSBTAJL-UHFFFAOYSA-N |
| Molecular Weight | 450.534 g/mol |
| SMILES | C(CCCCCCCCCCCCCCOC(C1=C(C(=C(C(=C1F)F)F)F)F)=O)CC |