| SpectraBase Compound ID | 4Br2bdEtREA |
|---|---|
| InChI | InChI=1S/C11H12O4/c1-14-10(12)9(11(13)15-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3 |
| InChIKey | FGDCQTFHGBAVJX-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 | 1QNlfj3PNUp |
|---|---|
| Name | 2-Phenylmalonic acid dimethyl ester |
| 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/c1-14-10(12)9(11(13)15-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3 |
| InChIKey | FGDCQTFHGBAVJX-UHFFFAOYSA-N |
| Molecular Weight | 208.213 g/mol |
| SMILES | COC(=O)C(C(=O)OC)C1=CC=CC=C1 |