| SpectraBase Compound ID | 9zARShDlZpr |
|---|---|
| InChI | InChI=1S/C25H37F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-32-25(31)19-20(26)22(28)24(30)23(29)21(19)27/h2-18H2,1H3 |
| InChIKey | NDPZKPVEKGRUSU-UHFFFAOYSA-N |
| Mol Weight | 464.6 g/mol |
| Molecular Formula | C25H37F5O2 |
| Exact Mass | 464.271371 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LL54HOcoUs9 |
|---|---|
| Name | Octadecyl 2,3,4,5,6-pentafluorobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 464.271371244 u |
| Formula | C25H37F5O2 |
| InChI | InChI=1S/C25H37F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-32-25(31)19-20(26)22(28)24(30)23(29)21(19)27/h2-18H2,1H3 |
| InChIKey | NDPZKPVEKGRUSU-UHFFFAOYSA-N |
| Molecular Weight | 464.561 g/mol |
| SMILES | C(OC(=O)C1=C(C(=C(C(=C1F)F)F)F)F)CCCCCCCCCCCCCCCCC |