| SpectraBase Compound ID | JO9wpOTKWfG |
|---|---|
| InChI | InChI=1S/C12H11BrO4/c1-7(14)10(12(16)17-2)11(15)8-3-5-9(13)6-4-8/h3-6,10H,1-2H3 |
| InChIKey | DDAGPKPTZSVHAO-UHFFFAOYSA-N |
| Mol Weight | 299.12 g/mol |
| Molecular Formula | C12H11BrO4 |
| Exact Mass | 297.984072 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F0qFSkScCKr |
|---|---|
| Name | Methyl acetyl(p-bromobenzoyl)acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.984071830 u |
| Formula | C12H11BrO4 |
| InChI | InChI=1S/C12H11BrO4/c1-7(14)10(12(16)17-2)11(15)8-3-5-9(13)6-4-8/h3-6,10H,1-2H3 |
| InChIKey | DDAGPKPTZSVHAO-UHFFFAOYSA-N |
| Molecular Weight | 299.120 g/mol |
| SMILES | C(C(C1=CC=C(C=C1)Br)=O)(C(=O)OC)C(=O)C |