| SpectraBase Compound ID | z2ockGtI4D |
|---|---|
| InChI | InChI=1S/C14H12F8O2/c15-11(16)13(19,20)14(21,22)12(17,18)8-24-10(23)7-6-9-4-2-1-3-5-9/h1-5,11H,6-8H2 |
| InChIKey | PZWWDCHGPGLXKZ-UHFFFAOYSA-N |
| Mol Weight | 364.24 g/mol |
| Molecular Formula | C14H12F8O2 |
| Exact Mass | 364.070955 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JgJmlCuQ3tB |
|---|---|
| Name | 3-Phenylpropionic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.070954928 u |
| Formula | C14H12F8O2 |
| InChI | InChI=1S/C14H12F8O2/c15-11(16)13(19,20)14(21,22)12(17,18)8-24-10(23)7-6-9-4-2-1-3-5-9/h1-5,11H,6-8H2 |
| InChIKey | PZWWDCHGPGLXKZ-UHFFFAOYSA-N |
| Molecular Weight | 364.235 g/mol |
| SMILES | C1(=CC=CC=C1)CCC(=O)OCC(C(C(C(F)F)(F)F)(F)F)(F)F |