| SpectraBase Compound ID | AfXf8P6ygX4 |
|---|---|
| InChI | InChI=1S/C13H8BrFO2/c14-10-6-4-9(5-7-10)13(16)17-12-3-1-2-11(15)8-12/h1-8H |
| InChIKey | ZJKVIGGSPNNTMQ-UHFFFAOYSA-N |
| Mol Weight | 295.11 g/mol |
| Molecular Formula | C13H8BrFO2 |
| Exact Mass | 293.969171 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 | LlRtBldhT0T |
|---|---|
| Name | 4-Bromobenzoic acid, 3-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.969170659 u |
| Formula | C13H8BrFO2 |
| InChI | InChI=1S/C13H8BrFO2/c14-10-6-4-9(5-7-10)13(16)17-12-3-1-2-11(15)8-12/h1-8H |
| InChIKey | ZJKVIGGSPNNTMQ-UHFFFAOYSA-N |
| Molecular Weight | 295.107 g/mol |
| SMILES | C1=C(C=CC(=C1)C(=O)OC1=CC=CC(=C1)F)Br |