| SpectraBase Compound ID | 3MvuSyksBoB |
|---|---|
| InChI | InChI=1S/C14H16O3/c1-10-11(2)14(16,17-13(10)15)9-8-12-6-4-3-5-7-12/h3-7,16H,8-9H2,1-2H3 |
| InChIKey | MSZANYMHWUQNFL-UHFFFAOYSA-N |
| Mol Weight | 232.28 g/mol |
| Molecular Formula | C14H16O3 |
| Exact Mass | 232.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BQQ7ZoIig0i |
|---|---|
| Name | 4,4-Dihydroxy-2,3-dimethyl-6-phenyl-2-hexenoic acid, gamma-lactone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.109944372 u |
| Formula | C14H16O3 |
| InChI | InChI=1S/C14H16O3/c1-10-11(2)14(16,17-13(10)15)9-8-12-6-4-3-5-7-12/h3-7,16H,8-9H2,1-2H3 |
| InChIKey | MSZANYMHWUQNFL-UHFFFAOYSA-N |
| Molecular Weight | 232.279 g/mol |
| SMILES | OC1(C(=C(C(O1)=O)C)C)CCC=1C=CC=CC1 |