| SpectraBase Spectrum ID |
EzmyJKgRFoU |
| Name |
Isophthalic acid, cis-tetradec-3-enyl hexyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
444.323959893 u |
| Formula |
C28H44O4 |
| InChI |
InChI=1S/C28H44O4/c1-3-5-7-9-10-11-12-13-14-15-16-18-23-32-28(30)26-21-19-20-25(24-26)27(29)31-22-17-8-6-4-2/h15-16,19-21,24H,3-14,17-18,22-23H2,1-2H3/b16-15- |
| InChIKey |
WGXMTFUPDIZFBH-NXVVXOECSA-N |
| Molecular Weight |
444.656 g/mol |
| SMILES |
C1=C(C=C(C=C1)C(=O)OCCCCCC)C(OCC\C=C/CCCCCCCCCC)=O |
