| SpectraBase Spectrum ID |
DoHhDuoP5iF |
| Name |
Adipic acid, 2,6-dimethylnon-1-en-3-yn-5-yl isohexyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.277009700 u |
| Formula |
C23H38O4 |
| InChI |
InChI=1S/C23H38O4/c1-7-11-20(6)21(16-15-19(4)5)27-23(25)14-9-8-13-22(24)26-17-10-12-18(2)3/h18,20-21H,4,7-14,17H2,1-3,5-6H3 |
| InChIKey |
JUTVZTGJXGUFCI-UHFFFAOYSA-N |
| Molecular Weight |
378.553 g/mol |
| SMILES |
C(=O)(CCCCC(OCCCC(C)C)=O)OC(C#CC(=C)C)C(C)CCC |
