| SpectraBase Compound ID | COFVGd5anVl |
|---|---|
| InChI | InChI=1S/C16H20O2/c1-4-10-14(5-2)18-16(17)15(6-3)13-11-8-7-9-12-13/h7-9,11-12,14-15H,5-6H2,1-3H3 |
| InChIKey | MVHOLHOUPNQQIJ-UHFFFAOYSA-N |
| Mol Weight | 244.33 g/mol |
| Molecular Formula | C16H20O2 |
| Exact Mass | 244.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JSeyAp1AOqg |
|---|---|
| Name | Butyric acid, 2-phenyl-, hex-4-yn-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.146329882 u |
| Formula | C16H20O2 |
| InChI | InChI=1S/C16H20O2/c1-4-10-14(5-2)18-16(17)15(6-3)13-11-8-7-9-12-13/h7-9,11-12,14-15H,5-6H2,1-3H3 |
| InChIKey | MVHOLHOUPNQQIJ-UHFFFAOYSA-N |
| Molecular Weight | 244.334 g/mol |
| SMILES | C(C(C(OC(CC)C#CC)=O)C1=CC=CC=C1)C |