| SpectraBase Compound ID | D9zQYwRIxmm |
|---|---|
| InChI | InChI=1S/C19H26O2/c1-4-5-13-18(15-16(2)3)21-19(20)14-9-12-17-10-7-6-8-11-17/h6-8,10-11,16,18H,4,9,12,14-15H2,1-3H3 |
| InChIKey | RBVDGQJDPPXOLD-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 | 1yCm0HsXYG3 |
|---|---|
| Name | Butyric acid, 4-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/c1-4-5-13-18(15-16(2)3)21-19(20)14-9-12-17-10-7-6-8-11-17/h6-8,10-11,16,18H,4,9,12,14-15H2,1-3H3 |
| InChIKey | RBVDGQJDPPXOLD-UHFFFAOYSA-N |
| Molecular Weight | 286.415 g/mol |
| SMILES | C(CCCC=1C=CC=CC1)(OC(CC(C)C)C#CCC)=O |