| SpectraBase Compound ID | Ho2Ks2xcQ0C |
|---|---|
| InChI | InChI=1S/C20H26O2/c1-5-9-17(4)19(14-12-16(2)3)22-20(21)15-13-18-10-7-6-8-11-18/h6-8,10-11,17,19H,2,5,9,13,15H2,1,3-4H3 |
| InChIKey | DUWKKLSTTBPJHA-UHFFFAOYSA-N |
| Mol Weight | 298.43 g/mol |
| Molecular Formula | C20H26O2 |
| Exact Mass | 298.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3glt0RpMMTp |
|---|---|
| Name | 3-Phenylpropionic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.193280075 u |
| Formula | C20H26O2 |
| InChI | InChI=1S/C20H26O2/c1-5-9-17(4)19(14-12-16(2)3)22-20(21)15-13-18-10-7-6-8-11-18/h6-8,10-11,17,19H,2,5,9,13,15H2,1,3-4H3 |
| InChIKey | DUWKKLSTTBPJHA-UHFFFAOYSA-N |
| SMILES | C1=CC=CC(=C1)CCC(OC(C#CC(=C)C)C(CCC)C)=O |