| SpectraBase Spectrum ID |
8cYWVjcdQhh |
| Name |
Sebacic acid, 2,7-dimethylocta-7-en-5-yn-4-yl heptyl 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/c1-6-7-8-13-16-21-30-26(28)17-14-11-9-10-12-15-18-27(29)31-25(22-24(4)5)20-19-23(2)3/h24-25H,2,6-18,21-22H2,1,3-5H3 |
| InChIKey |
IAVVKLPKUWFYSV-UHFFFAOYSA-N |
| Molecular Weight |
434.661 g/mol |
| SMILES |
C(C(OC(CCCCCCCCC(OCCCCCCC)=O)=O)CC(C)C)#CC(=C)C |
