| SpectraBase Compound ID | I5PmxwIqYLI |
|---|---|
| InChI | InChI=1S/C14H18O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,11H,6,9-10H2,1-2H3 |
| InChIKey | SXBYOJZCRBEUTK-UHFFFAOYSA-N |
| Mol Weight | 218.3 g/mol |
| Molecular Formula | C14H18O2 |
| Exact Mass | 218.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5knWpaBr9aq |
|---|---|
| Name | 3-Methyl-2-butenoic acid, 3-phenylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.130679818 u |
| Formula | C14H18O2 |
| InChI | InChI=1S/C14H18O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,11H,6,9-10H2,1-2H3 |
| InChIKey | SXBYOJZCRBEUTK-UHFFFAOYSA-N |
| Molecular Weight | 218.296 g/mol |
| SMILES | C1=CC=CC=C1CCCOC(=O)C=C(C)C |