| SpectraBase Compound ID | 4YpDjkWtYYb |
|---|---|
| InChI | InChI=1S/C16H26O2/c1-6-7-8-9-16(17)18-15(12-14(4)5)11-10-13(2)3/h14-15H,2,6-9,12H2,1,3-5H3 |
| InChIKey | DBEQUMZHKFWGOD-UHFFFAOYSA-N |
| Mol Weight | 250.38 g/mol |
| Molecular Formula | C16H26O2 |
| Exact Mass | 250.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8lIO6r6t8JM |
|---|---|
| Name | Hexanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.193280075 u |
| Formula | C16H26O2 |
| InChI | InChI=1S/C16H26O2/c1-6-7-8-9-16(17)18-15(12-14(4)5)11-10-13(2)3/h14-15H,2,6-9,12H2,1,3-5H3 |
| InChIKey | DBEQUMZHKFWGOD-UHFFFAOYSA-N |
| Molecular Weight | 250.382 g/mol |
| SMILES | CCCCCC(OC(C#CC(=C)C)CC(C)C)=O |