| SpectraBase Spectrum ID |
8qO4mG2QCz8 |
| Name |
Fumaric acid, isobutyl 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 |
240.136159120 u |
| Formula |
C13H20O4 |
| InChI |
InChI=1S/C13H20O4/c1-10(2)7-8-16-12(14)5-6-13(15)17-9-11(3)4/h5-7,11H,8-9H2,1-4H3/b6-5+ |
| InChIKey |
JZHQGAODDNWNCN-AATRIKPKSA-N |
| Molecular Weight |
240.299 g/mol |
| SMILES |
C(COC(\C=C\C(OCC(C)C)=O)=O)=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.981155 |
