| SpectraBase Spectrum ID |
H0eplvMRtG5 |
| Name |
Fumaric acid, 2-chloro-5-methylphenyl pentadecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
450.253687432 u |
| Formula |
C26H39ClO4 |
| InChI |
InChI=1S/C26H39ClO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-30-25(28)18-19-26(29)31-24-21-22(2)16-17-23(24)27/h16-19,21H,3-15,20H2,1-2H3/b19-18+ |
| InChIKey |
JSUKITLKOSYESH-VHEBQXMUSA-N |
| Molecular Weight |
451.047 g/mol |
| SMILES |
C(OC1=CC(C)=CC=C1Cl)(\C=C\C(OCCCCCCCCCCCCCCC)=O)=O |
