| SpectraBase Compound ID | AIYGQ8MarQg |
|---|---|
| InChI | InChI=1S/C8H15BrO2/c1-7(2,3)11-6(10)8(4,5)9/h1-5H3 |
| InChIKey | IGVNJALYNQVQIT-UHFFFAOYSA-N |
| Mol Weight | 223.11 g/mol |
| Molecular Formula | C8H15BrO2 |
| Exact Mass | 222.025543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GbDZ9WVux9G |
|---|---|
| Name | 2-Bromo-2-methylpropanoic_acid-tert.-butylester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.025542721 u |
| Formula | C8H15BrO2 |
| InChI | InChI=1S/C8H15BrO2/c1-7(2,3)11-6(10)8(4,5)9/h1-5H3 |
| InChIKey | IGVNJALYNQVQIT-UHFFFAOYSA-N |
| Molecular Weight | 223.110 g/mol |
| SMILES | C(Br)(C)(C)C(=O)OC(C)(C)C |