| SpectraBase Spectrum ID |
3ciH9NjLl5P |
| Name |
Fumaric acid, nonyl trans-hex-3-enyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.230059506 u |
| Formula |
C19H32O4 |
| InChI |
InChI=1S/C19H32O4/c1-3-5-7-9-10-11-13-17-23-19(21)15-14-18(20)22-16-12-8-6-4-2/h6,8,14-15H,3-5,7,9-13,16-17H2,1-2H3/b8-6+,15-14+ |
| InChIKey |
NJWASWXUKVCZRT-CGOUGSLNSA-N |
| Molecular Weight |
324.461 g/mol |
| SMILES |
C(OCC\C=C\CC)(\C=C\C(OCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858221 |
