| SpectraBase Compound ID | 9JlwoNsPq7i |
|---|---|
| InChI | InChI=1S/C14H16O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-9,11H,10H2,1-2H3/b9-6+ |
| InChIKey | WJFMVLKBFDAIAF-RMKNXTFCSA-N |
| Mol Weight | 216.28 g/mol |
| Molecular Formula | C14H16O2 |
| Exact Mass | 216.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IqYUKZY3dqT |
|---|---|
| Name | 3-Methyl-2-butenoic acid, 3-phenyl-2-propenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.115029753 u |
| Formula | C14H16O2 |
| InChI | InChI=1S/C14H16O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-9,11H,10H2,1-2H3/b9-6+ |
| InChIKey | WJFMVLKBFDAIAF-RMKNXTFCSA-N |
| Molecular Weight | 216.280 g/mol |
| SMILES | C1=CC=CC=C1\C=C\COC(=O)C=C(C)C |