| SpectraBase Compound ID | I7fGvqvU5fo |
|---|---|
| InChI | InChI=1S/C15H15F5O2/c1-3-5-6-7-8(4-2)22-15(21)9-10(16)12(18)14(20)13(19)11(9)17/h4,8H,2-3,5-7H2,1H3 |
| InChIKey | USHYBFRTSOZVAP-UHFFFAOYSA-N |
| Mol Weight | 322.28 g/mol |
| Molecular Formula | C15H15F5O2 |
| Exact Mass | 322.099221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6NpH2Jo1RoU |
|---|---|
| Name | oct-1-en-3-yl 2,3,4,5,6-Pentafluorobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.099220536 u |
| Formula | C15H15F5O2 |
| InChI | InChI=1S/C15H15F5O2/c1-3-5-6-7-8(4-2)22-15(21)9-10(16)12(18)14(20)13(19)11(9)17/h4,8H,2-3,5-7H2,1H3 |
| InChIKey | USHYBFRTSOZVAP-UHFFFAOYSA-N |
| Molecular Weight | 322.275 g/mol |
| SMILES | C(CC(OC(C1=C(C(=C(F)C(=C1F)F)F)F)=O)C=C)CCC |