| SpectraBase Compound ID | GQFH2wCVp1H |
|---|---|
| InChI | InChI=1S/C19H24O2/c1-14(2)11-12-18(13-15(3)4)21-19(20)16(5)17-9-7-6-8-10-17/h6-10,15-16,18H,1,13H2,2-5H3 |
| InChIKey | XAUCKEXMIGASNZ-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 | 9kcDzHco9Yt |
|---|---|
| Name | Hydratropic acid, 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 | 284.177630011 u |
| Formula | C19H24O2 |
| InChI | InChI=1S/C19H24O2/c1-14(2)11-12-18(13-15(3)4)21-19(20)16(5)17-9-7-6-8-10-17/h6-10,15-16,18H,1,13H2,2-5H3 |
| InChIKey | XAUCKEXMIGASNZ-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC=C1)C(C(=O)OC(CC(C)C)C#CC(C)=C)C |