| SpectraBase Compound ID | IvsieDAE0wC |
|---|---|
| InChI | InChI=1S/C16H9F5O2/c17-11-10(12(18)14(20)15(21)13(11)19)16(22)23-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/b7-4+ |
| InChIKey | BFBRMCWCAHXHSG-QPJJXVBHSA-N |
| Mol Weight | 328.24 g/mol |
| Molecular Formula | C16H9F5O2 |
| Exact Mass | 328.05227 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EBvzo6hW4Ur |
|---|---|
| Name | Cinnamyl 2,3,4,5,6-pentafluorobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.052270343 u |
| Formula | C16H9F5O2 |
| InChI | InChI=1S/C16H9F5O2/c17-11-10(12(18)14(20)15(21)13(11)19)16(22)23-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/b7-4+ |
| InChIKey | BFBRMCWCAHXHSG-QPJJXVBHSA-N |
| Molecular Weight | 328.238 g/mol |
| SMILES | C(C=1C(=C(C(=C(C1F)F)F)F)F)(=O)OC\C=C\C=1C=CC=CC1 |