| SpectraBase Compound ID | 3bqTpE42HUH |
|---|---|
| InChI | InChI=1S/C12H15BrO2/c1-12(2,3)8-15-11(14)9-5-4-6-10(13)7-9/h4-7H,8H2,1-3H3 |
| InChIKey | VVTDYMVLBGRQBC-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 | DCh13qUNZQ |
|---|---|
| Name | 3-Bromobenzoic acid, 2,2-dimethylpropyl 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/c1-12(2,3)8-15-11(14)9-5-4-6-10(13)7-9/h4-7H,8H2,1-3H3 |
| InChIKey | VVTDYMVLBGRQBC-UHFFFAOYSA-N |
| SMILES | C1=CC(C(OCC(C)(C)C)=O)=CC(=C1)Br |