| SpectraBase Spectrum ID |
67v2BfFFEV6 |
| Name |
Fumaric acid, decyl 3-methylbut-3-enyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.230059506 u |
| Formula |
C19H32O4 |
| InChI |
InChI=1S/C19H32O4/c1-4-5-6-7-8-9-10-11-15-22-18(20)12-13-19(21)23-16-14-17(2)3/h12-13H,2,4-11,14-16H2,1,3H3/b13-12+ |
| InChIKey |
MIIUAARNMOECIY-OUKQBFOZSA-N |
| Molecular Weight |
324.461 g/mol |
| SMILES |
CC(=C)CCOC(\C=C\C(OCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94018 |
