| SpectraBase Compound ID | 4gRZrEeZ7bB |
|---|---|
| InChI | InChI=1S/C12H9F5O2/c1-2-3-4-5-6(18)19-12-10(16)8(14)7(13)9(15)11(12)17/h2H,1,3-5H2 |
| InChIKey | YRLUYNWSOGNEGE-UHFFFAOYSA-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 | BZFt5wBaSRE |
|---|---|
| Name | Pentafluorophenyl hex-5-enoate |
| 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/c1-2-3-4-5-6(18)19-12-10(16)8(14)7(13)9(15)11(12)17/h2H,1,3-5H2 |
| InChIKey | YRLUYNWSOGNEGE-UHFFFAOYSA-N |
| Molecular Weight | 280.194 g/mol |
| SMILES | C(C(=O)OC=1C(=C(C(F)=C(F)C1F)F)F)CCC=C |