| SpectraBase Spectrum ID |
6NE7WDuedD2 |
| Name |
Fumaric acid, decyl 2-methyl-4-methoxybutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.256274254 u |
| Formula |
C20H36O5 |
| InChI |
InChI=1S/C20H36O5/c1-4-5-6-7-8-9-10-11-15-24-19(21)12-13-20(22)25-17-18(2)14-16-23-3/h12-13,18H,4-11,14-17H2,1-3H3/b13-12+ |
| InChIKey |
JCDQLFAIEFRBLX-OUKQBFOZSA-N |
| Molecular Weight |
356.503 g/mol |
| SMILES |
C(\C=C\C(OCC(CCOC)C)=O)(OCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966565 |
