| SpectraBase Spectrum ID |
58jOfBwQNzg |
| Name |
Sebacic acid, cis-non-3-enyl octyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
438.370910086 u |
| Formula |
C27H50O4 |
| InChI |
InChI=1S/C27H50O4/c1-3-5-7-9-13-17-21-25-31-27(29)23-19-15-12-11-14-18-22-26(28)30-24-20-16-10-8-6-4-2/h13,17H,3-12,14-16,18-25H2,1-2H3/b17-13- |
| InChIKey |
AKEVBNGNJNFQRG-LGMDPLHJSA-N |
| Molecular Weight |
438.693 g/mol |
| SMILES |
C(CCCCCCCCC(OCC\C=C/CCCCC)=O)(OCCCCCCCC)=O |
