| SpectraBase Compound ID | 6N9D7hUjKFe |
|---|---|
| InChI | InChI=1S/C14H10BrFO2/c1-9-3-2-4-10(7-9)14(17)18-13-6-5-11(16)8-12(13)15/h2-8H,1H3 |
| InChIKey | WSJFXYHUMAQJTC-UHFFFAOYSA-N |
| Mol Weight | 309.13 g/mol |
| Molecular Formula | C14H10BrFO2 |
| Exact Mass | 307.984821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GJo7D6WAqJw |
|---|---|
| Name | m-Toluic acid, 2-bromo-4-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.984820723 u |
| Formula | C14H10BrFO2 |
| InChI | InChI=1S/C14H10BrFO2/c1-9-3-2-4-10(7-9)14(17)18-13-6-5-11(16)8-12(13)15/h2-8H,1H3 |
| InChIKey | WSJFXYHUMAQJTC-UHFFFAOYSA-N |
| Molecular Weight | 309.134 g/mol |
| SMILES | C1=CC(C(OC2=C(C=C(C=C2)F)Br)=O)=CC(=C1)C |