| SpectraBase Compound ID | 2H3N9oGSJw9 |
|---|---|
| InChI | InChI=1S/C12H15BrO2/c1-8(2)9(3)15-12(14)10-6-4-5-7-11(10)13/h4-9H,1-3H3 |
| InChIKey | FBOMHQXAOJVAFS-UHFFFAOYSA-N |
| Mol Weight | 271.15 g/mol |
| Molecular Formula | C12H15BrO2 |
| Exact Mass | 270.025543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ntosRdxdTW |
|---|---|
| Name | 2-Bromobenzoic acid, 3-methylbut-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.025542721 u |
| Formula | C12H15BrO2 |
| InChI | InChI=1S/C12H15BrO2/c1-8(2)9(3)15-12(14)10-6-4-5-7-11(10)13/h4-9H,1-3H3 |
| InChIKey | FBOMHQXAOJVAFS-UHFFFAOYSA-N |
| SMILES | C1(=C(C=CC=C1)Br)C(=O)OC(C(C)C)C |