SpectraBase Spectrum ID |
2BR1STZyQhn |
Name |
Sebacic acid, 2-methyloct-5-yn-4-yl octyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
436.355260022 u |
Formula |
C27H48O4 |
InChI |
InChI=1S/C27H48O4/c1-5-7-9-10-15-18-22-30-26(28)20-16-13-11-12-14-17-21-27(29)31-25(19-8-6-2)23-24(3)4/h24-25H,5-7,9-18,20-23H2,1-4H3 |
InChIKey |
QFVAMJVNRXCVEA-UHFFFAOYSA-N |
Molecular Weight |
436.677 g/mol |
SMILES |
C(CCC(OC(C#CCC)CC(C)C)=O)CCCCCC(OCCCCCCCC)=O |