| SpectraBase Spectrum ID |
5TK65vBegUd |
| Name |
Fumaric acid, 3-methylbut-3-enyl octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.198759378 u |
| Formula |
C17H28O4 |
| InChI |
InChI=1S/C17H28O4/c1-4-5-6-7-8-9-13-20-16(18)10-11-17(19)21-14-12-15(2)3/h10-11H,2,4-9,12-14H2,1,3H3/b11-10+ |
| InChIKey |
CVVXSSZKVDHVKN-ZHACJKMWSA-N |
| Molecular Weight |
296.407 g/mol |
| SMILES |
CC(=C)CCOC(\C=C\C(OCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873473 |
