| SpectraBase Compound ID | oYnj9zCthW |
|---|---|
| InChI | InChI=1S/C11H12O5/c1-16-7-2-3-8(10(13)6-7)9(12)4-5-11(14)15/h2-3,6,13H,4-5H2,1H3,(H,14,15) |
| InChIKey | MMMHZBODZRNHIN-UHFFFAOYSA-N |
| Mol Weight | 224.21 g/mol |
| Molecular Formula | C11H12O5 |
| Exact Mass | 224.068473 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K520XRMwboY |
|---|---|
| Name | 4-(2-Hydroxy-4-methoxyphenyl)-4-oxobutanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.068473481 u |
| Formula | C11H12O5 |
| InChI | InChI=1S/C11H12O5/c1-16-7-2-3-8(10(13)6-7)9(12)4-5-11(14)15/h2-3,6,13H,4-5H2,1H3,(H,14,15) |
| InChIKey | MMMHZBODZRNHIN-UHFFFAOYSA-N |
| Molecular Weight | 224.212 g/mol |
| SMILES | COC1=CC(=C(C=C1)C(=O)CCC(=O)O)O |