| SpectraBase Compound ID | 6WRWtT0gfz5 |
|---|---|
| InChI | InChI=1S/C19H26O2/c1-5-7-13-17(14-15(3)4)21-19(20)18(6-2)16-11-9-8-10-12-16/h8-12,15,17-18H,5-6,14H2,1-4H3 |
| InChIKey | LOJIOLGLNIGEJX-UHFFFAOYSA-N |
| Mol Weight | 286.41 g/mol |
| Molecular Formula | C19H26O2 |
| Exact Mass | 286.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IsyR7HXMVii |
|---|---|
| Name | Butyric acid, 2-phenyl-, 2-methyloct-5-yn-4-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.193280075 u |
| Formula | C19H26O2 |
| InChI | InChI=1S/C19H26O2/c1-5-7-13-17(14-15(3)4)21-19(20)18(6-2)16-11-9-8-10-12-16/h8-12,15,17-18H,5-6,14H2,1-4H3 |
| InChIKey | LOJIOLGLNIGEJX-UHFFFAOYSA-N |
| Molecular Weight | 286.415 g/mol |
| SMILES | C(C(C(OC(CC(C)C)C#CCC)=O)C1=CC=CC=C1)C |