| SpectraBase Compound ID | 7kZv8rAP5Yu |
|---|---|
| InChI | InChI=1S/C14H18O2/c1-3-16-14(15)11-7-8-12(2)13-9-5-4-6-10-13/h4-7,9-12H,3,8H2,1-2H3/b11-7+ |
| InChIKey | QGTLLXYZGHYRAD-YRNVUSSQSA-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 | 7s5vqzQTA0A |
|---|---|
| Name | (E)-5-Phenyl-2-hexenoic acid ethyl 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/c1-3-16-14(15)11-7-8-12(2)13-9-5-4-6-10-13/h4-7,9-12H,3,8H2,1-2H3/b11-7+ |
| InChIKey | QGTLLXYZGHYRAD-YRNVUSSQSA-N |
| Molecular Weight | 218.296 g/mol |
| SMILES | C(\C=C\CC(C1=CC=CC=C1)C)(=O)OCC |