| SpectraBase Compound ID | E5pXAfE9bMx |
|---|---|
| InChI | InChI=1S/C14H11F7O2/c1-2-6-10(9-7-4-3-5-8-9)23-11(22)12(15,16)13(17,18)14(19,20)21/h2-5,7-8,10H,1,6H2 |
| InChIKey | NWACBJJJLQCIAK-UHFFFAOYSA-N |
| Mol Weight | 344.23 g/mol |
| Molecular Formula | C14H11F7O2 |
| Exact Mass | 344.064727 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HqPhTuvJAhB |
|---|---|
| Name | 4-Heptafluorobutyryloxy-4-phenylbut-1-ene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.064726733 u |
| Formula | C14H11F7O2 |
| InChI | InChI=1S/C14H11F7O2/c1-2-6-10(9-7-4-3-5-8-9)23-11(22)12(15,16)13(17,18)14(19,20)21/h2-5,7-8,10H,1,6H2 |
| InChIKey | NWACBJJJLQCIAK-UHFFFAOYSA-N |
| Molecular Weight | 344.229 g/mol |
| SMILES | C(CC=C)(C1=CC=CC=C1)OC(=O)C(C(F)(C(F)(F)F)F)(F)F |