| SpectraBase Compound ID | IoMepD0v9a3 |
|---|---|
| InChI | InChI=1S/C15H6BrF5O/c16-8-4-1-7(2-5-8)3-6-9(22)10-11(17)13(19)15(21)14(20)12(10)18/h1-6H/b6-3- |
| InChIKey | PYQQNPLRWSDRQJ-UTCJRWHESA-N |
| Mol Weight | 377.11 g/mol |
| Molecular Formula | C15H6BrF5O |
| Exact Mass | 375.952219 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 | 6pOf8gslrTs |
|---|---|
| Name | 3-(4-Bromophenyl)-1-(pentafluorophenyl)prop-2-en-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 375.952218627 u |
| Formula | C15H6BrF5O |
| InChI | InChI=1S/C15H6BrF5O/c16-8-4-1-7(2-5-8)3-6-9(22)10-11(17)13(19)15(21)14(20)12(10)18/h1-6H/b6-3- |
| InChIKey | PYQQNPLRWSDRQJ-UTCJRWHESA-N |
| Molecular Weight | 377.108 g/mol |
| SMILES | C1(=C(C(=C(C(=C1F)F)F)F)F)C(\C=C/C1=CC=C(C=C1)Br)=O |