| SpectraBase Compound ID | 4OQoT03OJCs |
|---|---|
| InChI | InChI=1S/C18H22O3/c1-5-20-17(19)13-14-21-16(18(2,3)4)12-11-15-9-7-6-8-10-15/h6-10,13-14,16H,5H2,1-4H3/b14-13+ |
| InChIKey | HVCJDCJPZATYNJ-BUHFOSPRSA-N |
| Mol Weight | 286.37 g/mol |
| Molecular Formula | C18H22O3 |
| Exact Mass | 286.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ATWwVYUl2pI |
|---|---|
| Name | (+-)-ethyl (E)-3-(4,4-dimethyl-1-phenylpent-1-yn-3-yloxy)acrylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.156894565 u |
| Formula | C18H22O3 |
| InChI | InChI=1S/C18H22O3/c1-5-20-17(19)13-14-21-16(18(2,3)4)12-11-15-9-7-6-8-10-15/h6-10,13-14,16H,5H2,1-4H3/b14-13+ |
| InChIKey | HVCJDCJPZATYNJ-BUHFOSPRSA-N |
| SMILES | C(#CC1=CC=CC=C1)C(C(C)(C)C)O\C=C\C(=O)OCC |