| SpectraBase Compound ID | KTfRH5qZ5Jn |
|---|---|
| InChI | InChI=1S/C12H7F7O3/c1-6(20)7-2-4-8(5-3-7)22-9(21)10(13,14)11(15,16)12(17,18)19/h2-5H,1H3 |
| InChIKey | WCXHFMAHANUZSK-UHFFFAOYSA-N |
| Mol Weight | 332.17 g/mol |
| Molecular Formula | C12H7F7O3 |
| Exact Mass | 332.028341 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KlKwbwSeyJ7 |
|---|---|
| Name | 4-Acetylphenyl 2,2,3,3,4,4,4-heptafluorobutanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.028341223 u |
| Formula | C12H7F7O3 |
| InChI | InChI=1S/C12H7F7O3/c1-6(20)7-2-4-8(5-3-7)22-9(21)10(13,14)11(15,16)12(17,18)19/h2-5H,1H3 |
| InChIKey | WCXHFMAHANUZSK-UHFFFAOYSA-N |
| Molecular Weight | 332.174 g/mol |
| SMILES | C(OC1=CC=C(C=C1)C(C)=O)(C(C(F)(F)C(F)(F)F)(F)F)=O |