| SpectraBase Compound ID | HIuayY9GY28 |
|---|---|
| InChI | InChI=1S/C15H15F5O2/c1-3-4-5-6-7-8(2)22-15(21)9-10(16)12(18)14(20)13(19)11(9)17/h6-8H,3-5H2,1-2H3/b7-6+ |
| InChIKey | VBECRBLNWKRCRC-VOTSOKGWSA-N |
| Mol Weight | 322.28 g/mol |
| Molecular Formula | C15H15F5O2 |
| Exact Mass | 322.099221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8e8oNoKbjkv |
|---|---|
| Name | Pentafluorobenzoic acid, oct-3-en-2-yl ester |
| 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/c1-3-4-5-6-7-8(2)22-15(21)9-10(16)12(18)14(20)13(19)11(9)17/h6-8H,3-5H2,1-2H3/b7-6+ |
| InChIKey | VBECRBLNWKRCRC-VOTSOKGWSA-N |
| Molecular Weight | 322.275 g/mol |
| SMILES | C1(=C(C(=C(C(=C1F)F)C(OC(\C=C\CCCC)C)=O)F)F)F |