| SpectraBase Spectrum ID |
8CohMLqzGrk |
| Name |
Fumaric acid, decyl 3-pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.245709571 u |
| Formula |
C19H34O4 |
| InChI |
InChI=1S/C19H34O4/c1-4-7-8-9-10-11-12-13-16-22-18(20)14-15-19(21)23-17(5-2)6-3/h14-15,17H,4-13,16H2,1-3H3/b15-14+ |
| InChIKey |
OATOKPKWMDKCIF-CCEZHUSRSA-N |
| Molecular Weight |
326.477 g/mol |
| SMILES |
C(\C=C\C(OCCCCCCCCCC)=O)(OC(CC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945658 |
