| SpectraBase Compound ID | 2DW5AXlrA4U |
|---|---|
| InChI | InChI=1S/C12H9F5O2/c13-11(14,12(15,16)17)10(18)19-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/b7-4+ |
| InChIKey | VXUDWQVXKUKUEN-QPJJXVBHSA-N |
| Mol Weight | 280.19 g/mol |
| Molecular Formula | C12H9F5O2 |
| Exact Mass | 280.05227 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | qNblqx7gj2 |
|---|---|
| Name | Cinnamyl alcohol, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.052270343 u |
| Formula | C12H9F5O2 |
| InChI | InChI=1S/C12H9F5O2/c13-11(14,12(15,16)17)10(18)19-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/b7-4+ |
| InChIKey | VXUDWQVXKUKUEN-QPJJXVBHSA-N |
| Molecular Weight | 280.194 g/mol |
| SMILES | C(\C=C\C1=CC=CC=C1)OC(C(C(F)(F)F)(F)F)=O |