| SpectraBase Spectrum ID |
6oxj5LhtJ2E |
| Name |
Isophthalic acid, cis-tetradec-3-enyl nonyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
486.370910086 u |
| Formula |
C31H50O4 |
| InChI |
InChI=1S/C31H50O4/c1-3-5-7-9-11-12-13-14-15-17-19-21-26-35-31(33)29-24-22-23-28(27-29)30(32)34-25-20-18-16-10-8-6-4-2/h17,19,22-24,27H,3-16,18,20-21,25-26H2,1-2H3/b19-17- |
| InChIKey |
FVMUDWKWMAIOAO-ZPHPHTNESA-N |
| Molecular Weight |
486.737 g/mol |
| SMILES |
C1=C(C=C(C=C1)C(=O)OCCCCCCCCC)C(OCC\C=C/CCCCCCCCCC)=O |
