| SpectraBase Spectrum ID |
Hwsor2RbsQZ |
| Name |
Fumaric acid, decyl isopropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.214409442 u |
| Formula |
C17H30O4 |
| InChI |
InChI=1S/C17H30O4/c1-4-5-6-7-8-9-10-11-14-20-16(18)12-13-17(19)21-15(2)3/h12-13,15H,4-11,14H2,1-3H3/b13-12+ |
| InChIKey |
PJSMNCXKZIKYOT-OUKQBFOZSA-N |
| SMILES |
C(COC(\C=C\C(OC(C)C)=O)=O)CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948791 |
