| SpectraBase Spectrum ID |
8m3Uf6CMPRl |
| Name |
Fumaric acid, 6-ethyloct-3-yl 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/c1-5-9-10-15-22-18(20)13-14-19(21)23-17(8-4)12-11-16(6-2)7-3/h13-14,16-17H,5-12,15H2,1-4H3/b14-13+ |
| InChIKey |
XUNWRILYXZVMFY-BUHFOSPRSA-N |
| Molecular Weight |
326.477 g/mol |
| SMILES |
C(\C=C\C(OCCCCC)=O)(OC(CCC(CC)CC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956925 |
