| SpectraBase Spectrum ID |
8Co44yoCgK6 |
| Name |
Fumaric acid, 3,5-dimethylphenyl hexadecyl 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/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-31-27(29)18-19-28(30)32-26-22-24(2)21-25(3)23-26/h18-19,21-23H,4-17,20H2,1-3H3/b19-18+ |
| InChIKey |
CJKSOEUGTCZWQL-VHEBQXMUSA-N |
| Molecular Weight |
444.656 g/mol |
| SMILES |
C(CCCCCCCCCOC(\C=C\C(OC1=CC(C)=CC(C)=C1)=O)=O)CCCCCC |
