| SpectraBase Spectrum ID |
AgISPd54KdR |
| Name |
Fumaric acid, di(4-octyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.261359635 u |
| Formula |
C20H36O4 |
| InChI |
InChI=1S/C20H36O4/c1-5-9-13-17(11-7-3)23-19(21)15-16-20(22)24-18(12-8-4)14-10-6-2/h15-18H,5-14H2,1-4H3/b16-15+ |
| InChIKey |
PMFIYZLJOVVKFV-FOCLMDBBSA-N |
| Molecular Weight |
340.504 g/mol |
| SMILES |
CCCCC(OC(\C=C\C(OC(CCCC)CCC)=O)=O)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891459 |
