| SpectraBase Spectrum ID |
7XHznk63rMR |
| Name |
Fumaric acid, butyl 3-methylbut-3-enyl 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/c1-4-5-9-16-12(14)6-7-13(15)17-10-8-11(2)3/h6-7H,2,4-5,8-10H2,1,3H3/b7-6+ |
| InChIKey |
CDLNIKGMZNTHKD-VOTSOKGWSA-N |
| Molecular Weight |
240.299 g/mol |
| SMILES |
CC(=C)CCOC(\C=C\C(OCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972566 |
