| SpectraBase Compound ID | EcvJMxlWbTP |
|---|---|
| InChI | InChI=1S/C11H11BrO4/c12-11(9(13)14,10(15)16)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,14)(H,15,16) |
| InChIKey | QBGAGMUBGKSZOB-UHFFFAOYSA-N |
| Mol Weight | 287.11 g/mol |
| Molecular Formula | C11H11BrO4 |
| Exact Mass | 285.984072 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K3WalMwmeAr |
|---|---|
| Name | 2-Brom-2-(2-phenylethyl)-malonic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.984071830 u |
| Formula | C11H11BrO4 |
| InChI | InChI=1S/C11H11BrO4/c12-11(9(13)14,10(15)16)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,14)(H,15,16) |
| InChIKey | QBGAGMUBGKSZOB-UHFFFAOYSA-N |
| SMILES | C(C1=CC=CC=C1)CC(C(O)=O)(C(O)=O)Br |