| SpectraBase Spectrum ID |
Cb73uGqzied |
| Name |
Fumaric acid, di(2-methylallyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.104858991 u |
| Formula |
C12H16O4 |
| InChI |
InChI=1S/C12H16O4/c1-9(2)7-15-11(13)5-6-12(14)16-8-10(3)4/h5-6H,1,3,7-8H2,2,4H3/b6-5+ |
| InChIKey |
VMZLQRNXDDTZAV-AATRIKPKSA-N |
| Molecular Weight |
224.256 g/mol |
| SMILES |
CC(COC(\C=C\C(OCC(=C)C)=O)=O)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964721 |
