| SpectraBase Compound ID | 6LvPybZMMBW |
|---|---|
| InChI | InChI=1S/C13H8BrFO2/c14-10-5-3-4-9(8-10)13(16)17-12-7-2-1-6-11(12)15/h1-8H |
| InChIKey | QMJSTWPOUDJREI-UHFFFAOYSA-N |
| Mol Weight | 295.11 g/mol |
| Molecular Formula | C13H8BrFO2 |
| Exact Mass | 293.969171 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A7XhmMtUOEN |
|---|---|
| Name | 3-Bromobenzoic acid, 2-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/c14-10-5-3-4-9(8-10)13(16)17-12-7-2-1-6-11(12)15/h1-8H |
| InChIKey | QMJSTWPOUDJREI-UHFFFAOYSA-N |
| Molecular Weight | 295.107 g/mol |
| SMILES | C1=C(C=CC=C1C(OC1=C(C=CC=C1)F)=O)Br |