| SpectraBase Compound ID | LrbR9bF9Pot |
|---|---|
| InChI | InChI=1S/C12H13BrO3/c1-8(2)12(15)16-7-11(14)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3 |
| InChIKey | BDBPDPLJFCWUSK-UHFFFAOYSA-N |
| Mol Weight | 285.14 g/mol |
| Molecular Formula | C12H13BrO3 |
| Exact Mass | 284.004807 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FjTWHFVcNx1 |
|---|---|
| Name | 4-Bromophenacyl isobutanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.004807276 u |
| Formula | C12H13BrO3 |
| InChI | InChI=1S/C12H13BrO3/c1-8(2)12(15)16-7-11(14)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3 |
| InChIKey | BDBPDPLJFCWUSK-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC(=C1)Br)C(COC(C(C)C)=O)=O |