| SpectraBase Spectrum ID |
6fkQUnsGgTF |
| Name |
Fumaric acid, di(3-methylbut-2-en-1-yl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.136159120 u |
| Formula |
C14H20O4 |
| InChI |
InChI=1S/C14H20O4/c1-11(2)7-9-17-13(15)5-6-14(16)18-10-8-12(3)4/h5-8H,9-10H2,1-4H3/b6-5+ |
| InChIKey |
DKWUZHGNEXVLTE-AATRIKPKSA-N |
| Molecular Weight |
252.310 g/mol |
| SMILES |
C(COC(\C=C\C(OCC=C(C)C)=O)=O)=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964624 |
