| SpectraBase Compound ID | 1v4JQgwqjon |
|---|---|
| InChI | InChI=1S/C15H20O2/c1-4-17-15(16)11-14(12(2)3)10-13-8-6-5-7-9-13/h5-9H,4,10-11H2,1-3H3 |
| InChIKey | JJCUILOVIZFMRB-UHFFFAOYSA-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 | AbRv8teul7f |
|---|---|
| Name | 3-Benzyl-4-methyl-pent-3-enoic acid ethyl ester |
| 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/c1-4-17-15(16)11-14(12(2)3)10-13-8-6-5-7-9-13/h5-9H,4,10-11H2,1-3H3 |
| InChIKey | JJCUILOVIZFMRB-UHFFFAOYSA-N |
| Molecular Weight | 232.323 g/mol |
| SMILES | C(CC(=C(C)C)CC=1C=CC=CC1)(=O)OCC |