| SpectraBase Spectrum ID |
LY46ExV19tZ |
| Name |
Fumaric acid, ethyl heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
242.151809184 u |
| Formula |
C13H22O4 |
| InChI |
InChI=1S/C13H22O4/c1-3-5-6-7-8-11-17-13(15)10-9-12(14)16-4-2/h9-10H,3-8,11H2,1-2H3/b10-9+ |
| InChIKey |
WCJHIZQTNJPMPL-MDZDMXLPSA-N |
| Molecular Weight |
242.315 g/mol |
| SMILES |
CCOC(\C=C\C(OCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909371 |
