| SpectraBase Compound ID | E5ePXDW91oE |
|---|---|
| InChI | InChI=1S/C12H14O5/c1-16-11(14)9(12(15)17-2)7-8-5-3-4-6-10(8)13/h3-6,9,13H,7H2,1-2H3 |
| InChIKey | SKFYEPVPPRLKMX-UHFFFAOYSA-N |
| Mol Weight | 238.24 g/mol |
| Molecular Formula | C12H14O5 |
| Exact Mass | 238.084124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GKGjXvL8vVs |
|---|---|
| Name | 2-Salicylmalonic acid dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.084123546 u |
| Formula | C12H14O5 |
| InChI | InChI=1S/C12H14O5/c1-16-11(14)9(12(15)17-2)7-8-5-3-4-6-10(8)13/h3-6,9,13H,7H2,1-2H3 |
| InChIKey | SKFYEPVPPRLKMX-UHFFFAOYSA-N |
| Molecular Weight | 238.239 g/mol |
| SMILES | C=1(C(=CC=CC1)CC(C(=O)OC)C(=O)OC)O |