| SpectraBase Spectrum ID |
1GZbmV0xWQ2 |
| Name |
Fumaric acid, isobutyl isopropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
214.120509056 u |
| Formula |
C11H18O4 |
| InChI |
InChI=1S/C11H18O4/c1-8(2)7-14-10(12)5-6-11(13)15-9(3)4/h5-6,8-9H,7H2,1-4H3/b6-5+ |
| InChIKey |
LACYJSOAGUDVKR-AATRIKPKSA-N |
| Molecular Weight |
214.261 g/mol |
| SMILES |
CC(C)OC(\C=C\C(OCC(C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97925 |
