| SpectraBase Spectrum ID |
LVrcLak8NXg |
| Name |
Isophthalic acid, cis-tetradec-3-enyl isohexyl 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/c1-4-5-6-7-8-9-10-11-12-13-14-15-21-31-27(29)25-19-16-20-26(23-25)28(30)32-22-17-18-24(2)3/h13-14,16,19-20,23-24H,4-12,15,17-18,21-22H2,1-3H3/b14-13- |
| InChIKey |
OJOZKYZRYFPQDL-YPKPFQOOSA-N |
| Molecular Weight |
444.656 g/mol |
| SMILES |
C1=C(C=C(C=C1)C(=O)OCCCC(C)C)C(OCC\C=C/CCCCCCCCCC)=O |
