| SpectraBase Compound ID | 3Lh3kUT6DUX |
|---|---|
| InChI | InChI=1S/C15H20O2/c1-12(2)11-13(3)15(16)17-10-9-14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3/b13-11+ |
| InChIKey | PJAFQMTVNJERIM-ACCUITESSA-N |
| Mol Weight | 232.32 g/mol |
| Molecular Formula | C15H20O2 |
| Exact Mass | 232.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LNqPUzKNEes |
|---|---|
| Name | 2-Pentenoic acid, 2,4-dimethyl-, 2-phenylethyl ester, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.146329882 u |
| Formula | C15H20O2 |
| InChI | InChI=1S/C15H20O2/c1-12(2)11-13(3)15(16)17-10-9-14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3/b13-11+ |
| InChIKey | PJAFQMTVNJERIM-ACCUITESSA-N |
| Molecular Weight | 232.323 g/mol |
| SMILES | C(\C(=C\C(C)C)C)(=O)OCCC=1C=CC=CC1 |