| SpectraBase Compound ID | 5IVAbgjFrLz |
|---|---|
| InChI | InChI=1S/C14H16O2/c1-3-16-14(15)12(2)8-7-11-13-9-5-4-6-10-13/h4-11H,3H2,1-2H3/b11-7+,12-8+ |
| InChIKey | UPHJCAWJZCDVIM-MKICQXMISA-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 | FNthzNW1hvv |
|---|---|
| Name | (2E,4E)-2-Methyl-5-phenyl-penta-2,4-dienoic acid ethyl 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/c1-3-16-14(15)12(2)8-7-11-13-9-5-4-6-10-13/h4-11H,3H2,1-2H3/b11-7+,12-8+ |
| InChIKey | UPHJCAWJZCDVIM-MKICQXMISA-N |
| Molecular Weight | 216.280 g/mol |
| SMILES | C(\C(=C\C=C\C=1C=CC=CC1)C)(=O)OCC |