| SpectraBase Spectrum ID |
ATcadPh8cTR |
| Name |
Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl dodecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
434.339609957 u |
| Formula |
C27H46O4 |
| InChI |
InChI=1S/C27H46O4/c1-6-7-8-9-10-11-12-13-14-15-21-30-26(28)17-16-18-27(29)31-25(22-24(4)5)20-19-23(2)3/h24-25H,2,6-18,21-22H2,1,3-5H3 |
| InChIKey |
BVYNFJVQYODSLK-UHFFFAOYSA-N |
| Molecular Weight |
434.661 g/mol |
| SMILES |
CC(CC(OC(CCCC(OCCCCCCCCCCCC)=O)=O)C#CC(=C)C)C |
