| SpectraBase Compound ID | 85IooeT1ImV |
|---|---|
| InChI | InChI=1S/C9H8BrFO2/c1-2-13-9(12)7-5-6(11)3-4-8(7)10/h3-5H,2H2,1H3 |
| InChIKey | ODFAIHQRCRQZGM-UHFFFAOYSA-N |
| Mol Weight | 247.06 g/mol |
| Molecular Formula | C9H8BrFO2 |
| Exact Mass | 245.969171 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ac739pGQS71 |
|---|---|
| Name | Ethyl 2-bromo-5-fluorobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.969170659 u |
| Formula | C9H8BrFO2 |
| InChI | InChI=1S/C9H8BrFO2/c1-2-13-9(12)7-5-6(11)3-4-8(7)10/h3-5H,2H2,1H3 |
| InChIKey | ODFAIHQRCRQZGM-UHFFFAOYSA-N |
| Molecular Weight | 247.063 g/mol |
| SMILES | C1(F)=CC(=C(C=C1)Br)C(=O)OCC |