| SpectraBase Spectrum ID |
HmfsRB7J902 |
| Name |
Fumaric acid, heptyl 4-octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.245709571 u |
| Formula |
C19H34O4 |
| InChI |
InChI=1S/C19H34O4/c1-4-7-9-10-11-16-22-18(20)14-15-19(21)23-17(12-6-3)13-8-5-2/h14-15,17H,4-13,16H2,1-3H3/b15-14+ |
| InChIKey |
FNQYYTVLSXHXFY-CCEZHUSRSA-N |
| Molecular Weight |
326.477 g/mol |
| SMILES |
C(COC(\C=C\C(OC(CCCC)CCC)=O)=O)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850134 |
