SpectraBase Spectrum ID |
9X21DAhMMeq |
Name |
Fumaric acid, 3-phenylpropyl dodec-2-en-1-yl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
400.261359635 u |
Formula |
C25H36O4 |
InChI |
InChI=1S/C25H36O4/c1-2-3-4-5-6-7-8-9-10-14-21-28-24(26)19-20-25(27)29-22-15-18-23-16-12-11-13-17-23/h10-14,16-17,19-20H,2-9,15,18,21-22H2,1H3/b14-10+,20-19+ |
InChIKey |
MHYIYWBULBBIGN-PVLGCOFDSA-N |
Molecular Weight |
400.559 g/mol |
SMILES |
C(\C=C\C(OC\C=C\CCCCCCCCC)=O)(OCCCC1=CC=CC=C1)=O |