| SpectraBase Spectrum ID |
6SlIOdzqxQM |
| Name |
Sebacic acid, butyl 2,6-dimethylnon-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 |
406.308309828 u |
| Formula |
C25H42O4 |
| InChI |
InChI=1S/C25H42O4/c1-6-8-20-28-24(26)16-13-11-9-10-12-14-17-25(27)29-23(19-18-21(3)4)22(5)15-7-2/h22-23H,3,6-17,20H2,1-2,4-5H3 |
| InChIKey |
TYWMFGXXNSYRBI-UHFFFAOYSA-N |
| Molecular Weight |
406.607 g/mol |
| SMILES |
C(OC(CCCCCCCCC(OCCCC)=O)=O)(C#CC(=C)C)C(CCC)C |
