| SpectraBase Compound ID | 7wEfDnDz6pM |
|---|---|
| InChI | InChI=1S/C20H26O2/c1-16(2)13-14-19(15-17(3)4)22-20(21)12-8-11-18-9-6-5-7-10-18/h5-7,9-10,17,19H,1,8,11-12,15H2,2-4H3 |
| InChIKey | SOXCAWAEMHJKAV-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 | 5pPhs0vvZ72 |
|---|---|
| Name | Butyric acid, 4-phenyl-, 2,7-dimethyloct-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/c1-16(2)13-14-19(15-17(3)4)22-20(21)12-8-11-18-9-6-5-7-10-18/h5-7,9-10,17,19H,1,8,11-12,15H2,2-4H3 |
| InChIKey | SOXCAWAEMHJKAV-UHFFFAOYSA-N |
| SMILES | C(CCCC=1C=CC=CC1)(OC(CC(C)C)C#CC(C)=C)=O |