| SpectraBase Compound ID | s7kb5Yb3kO |
|---|---|
| InChI | InChI=1S/C18H23F5O2/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/h2-11H2,1H3 |
| InChIKey | PAWOTZAVMHFMJY-UHFFFAOYSA-N |
| Mol Weight | 366.37 g/mol |
| Molecular Formula | C18H23F5O2 |
| Exact Mass | 366.161821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FYR7WrgaskD |
|---|---|
| Name | Undecyl 2,3,4,5,6-pentafluorobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.161820794 u |
| Formula | C18H23F5O2 |
| InChI | InChI=1S/C18H23F5O2/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/h2-11H2,1H3 |
| InChIKey | PAWOTZAVMHFMJY-UHFFFAOYSA-N |
| Molecular Weight | 366.372 g/mol |
| SMILES | C(=O)(C1=C(C(=C(C(=C1F)F)F)F)F)OCCCCCCCCCCC |