| SpectraBase Spectrum ID |
DWQP2uwZB41 |
| Name |
Fumaric acid, 4-octyl 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/c1-4-7-9-10-11-12-17-23-19(21)15-16-20(22)24-18(13-6-3)14-8-5-2/h15-16,18H,4-14,17H2,1-3H3/b16-15+ |
| InChIKey |
CUUQTZZWOOQJJA-FOCLMDBBSA-N |
| Molecular Weight |
340.504 g/mol |
| SMILES |
C(CCOC(\C=C\C(OC(CCCC)CCC)=O)=O)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932879 |
