| SpectraBase Spectrum ID |
5JijsGNd0as |
| Name |
Fumaric acid, isobutyl 2-methylallyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.120509056 u |
| Formula |
C12H18O4 |
| InChI |
InChI=1S/C12H18O4/c1-9(2)7-15-11(13)5-6-12(14)16-8-10(3)4/h5-6,10H,1,7-8H2,2-4H3/b6-5+ |
| InChIKey |
XEGIFGYMVVHDBP-AATRIKPKSA-N |
| Molecular Weight |
226.272 g/mol |
| SMILES |
C(\C=C\C(OCC(=C)C)=O)(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967455 |
