| SpectraBase Spectrum ID |
KKIIgHfSix4 |
| Name |
Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl nonyl 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/c1-6-8-9-10-11-12-13-20-28-24(26)16-14-17-25(27)29-23(19-18-21(3)4)22(5)15-7-2/h22-23H,3,6-17,20H2,1-2,4-5H3 |
| InChIKey |
SZWABNDXIVFPMI-UHFFFAOYSA-N |
| Molecular Weight |
406.607 g/mol |
| SMILES |
C=C(C#CC(OC(CCCC(OCCCCCCCCC)=O)=O)C(CCC)C)C |
