| SpectraBase Compound ID | LNjHxA8xm3Y |
|---|---|
| InChI | InChI=1S/C12H15BrO3/c1-12(2,3)8-4-5-10(9(13)6-8)16-7-11(14)15/h4-6H,7H2,1-3H3,(H,14,15) |
| InChIKey | PJNXDLJWFAAMPA-UHFFFAOYSA-N |
| Mol Weight | 287.15 g/mol |
| Molecular Formula | C12H15BrO3 |
| Exact Mass | 286.020457 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A1rQkQDcVqe |
|---|---|
| Name | (2-Bromo-4-tert-butylphenoxy)acetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.020457340 u |
| Formula | C12H15BrO3 |
| InChI | InChI=1S/C12H15BrO3/c1-12(2,3)8-4-5-10(9(13)6-8)16-7-11(14)15/h4-6H,7H2,1-3H3,(H,14,15) |
| InChIKey | PJNXDLJWFAAMPA-UHFFFAOYSA-N |
| SMILES | C1(Br)=C(C=CC(=C1)C(C)(C)C)OCC(=O)O |