| SpectraBase Compound ID | JjoUM2m5kyP |
|---|---|
| InChI | InChI=1S/C11H12O4/c1-7(10(12)13)9(11(14)15)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,12,13)(H,14,15) |
| InChIKey | MLAWEKSPGNGPNZ-UHFFFAOYSA-N |
| Mol Weight | 208.21 g/mol |
| Molecular Formula | C11H12O4 |
| Exact Mass | 208.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EDuAewEfOIn |
|---|---|
| Name | 2-Methyl-3-phenylsuccinic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.073558862 u |
| Formula | C11H12O4 |
| InChI | InChI=1S/C11H12O4/c1-7(10(12)13)9(11(14)15)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,12,13)(H,14,15) |
| InChIKey | MLAWEKSPGNGPNZ-UHFFFAOYSA-N |
| Molecular Weight | 208.213 g/mol |
| SMILES | C(C(C(C(=O)O)C)C1=CC=CC=C1)(=O)O |