| SpectraBase Compound ID | FvQQxqKjyYi |
|---|---|
| InChI | InChI=1S/C17H26O2/c1-6-7-8-9-10-17(18)19-16(13-15(4)5)12-11-14(2)3/h9-10,15-16H,2,6-8,13H2,1,3-5H3/b10-9+ |
| InChIKey | UATXZPRBFVDGPA-MDZDMXLPSA-N |
| Mol Weight | 262.39 g/mol |
| Molecular Formula | C17H26O2 |
| Exact Mass | 262.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AeS1ml2JRMt |
|---|---|
| Name | 2-Heptenoic 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 | 262.193280075 u |
| Formula | C17H26O2 |
| InChI | InChI=1S/C17H26O2/c1-6-7-8-9-10-17(18)19-16(13-15(4)5)12-11-14(2)3/h9-10,15-16H,2,6-8,13H2,1,3-5H3/b10-9+ |
| InChIKey | UATXZPRBFVDGPA-MDZDMXLPSA-N |
| Molecular Weight | 262.393 g/mol |
| SMILES | C(\C=C\CCCC)(OC(CC(C)C)C#CC(C)=C)=O |