| SpectraBase Compound ID | BxJt7YaFUeV |
|---|---|
| InChI | InChI=1S/C19H24O2/c1-15(2)10-12-18(14-16(3)4)21-19(20)13-11-17-8-6-5-7-9-17/h5-9,16,18H,1,11,13-14H2,2-4H3 |
| InChIKey | NNQSPQLMDJEQMS-UHFFFAOYSA-N |
| Mol Weight | 284.4 g/mol |
| Molecular Formula | C19H24O2 |
| Exact Mass | 284.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7VYHbmL4eIA |
|---|---|
| Name | 3-Phenylpropionic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.177630011 u |
| Formula | C19H24O2 |
| InChI | InChI=1S/C19H24O2/c1-15(2)10-12-18(14-16(3)4)21-19(20)13-11-17-8-6-5-7-9-17/h5-9,16,18H,1,11,13-14H2,2-4H3 |
| InChIKey | NNQSPQLMDJEQMS-UHFFFAOYSA-N |
| SMILES | C1=CC=CC(=C1)CCC(OC(C#CC(=C)C)CC(C)C)=O |