![4-[(2-Perfluorodecyl)ethyl]-benzyl crotonate](/api/spectrum/9eze4YKCfMA/structure.png?h=300&w=458 "4-[(2-Perfluorodecyl)ethyl]-benzyl crotonate")
| SpectraBase Compound ID | JQMe9PPNJWF |
|---|---|
| InChI | InChI=1S/C23H15F21O2/c1-2-3-13(45)46-10-12-6-4-11(5-7-12)8-9-14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)20(36,37)21(38,39)22(40,41)23(42,43)44/h2-7H,8-10H2,1H3/b3-2+ |
| InChIKey | RYAOZBRVBFZKJH-NSCUHMNNSA-N |
| Mol Weight | 722.34 g/mol |
| Molecular Formula | C23H15F21O2 |
| Exact Mass | 722.073671 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9eze4YKCfMA |
|---|---|
| Name | 4-[(2-Perfluorodecyl)ethyl]-benzyl crotonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 722.073671144 u |
| Formula | C23H15F21O2 |
| InChI | InChI=1S/C23H15F21O2/c1-2-3-13(45)46-10-12-6-4-11(5-7-12)8-9-14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)20(36,37)21(38,39)22(40,41)23(42,43)44/h2-7H,8-10H2,1H3/b3-2+ |
| InChIKey | RYAOZBRVBFZKJH-NSCUHMNNSA-N |
| Molecular Weight | 722.337 g/mol |
| SMILES | C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(CCC1=CC=C(C=C1)COC(\C=C\C)=O)(F)F)(F)F)(F)F)(F)F)(F)F |