| SpectraBase Compound ID | JEqRlUxg3kd |
|---|---|
| InChI | InChI=1S/C14H16O2/c1-4-16-14(15)12(3)10-11(2)13-8-6-5-7-9-13/h5-9H,4H2,1-3H3 |
| InChIKey | HSLBGDAUDFAKQD-UHFFFAOYSA-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 | 5uOPduOR534 |
|---|---|
| Name | 2,3-Pentadienoic acid, 2-methyl-4-phenyl-, 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/c1-4-16-14(15)12(3)10-11(2)13-8-6-5-7-9-13/h5-9H,4H2,1-3H3 |
| InChIKey | HSLBGDAUDFAKQD-UHFFFAOYSA-N |
| Molecular Weight | 216.280 g/mol |
| SMILES | C(=C=C(C(OCC)=O)C)(C)C1=CC=CC=C1 |