| SpectraBase Spectrum ID |
5jwZ6JXqRbK |
| Name |
Fumaric acid, allyl heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.151809184 u |
| Formula |
C14H22O4 |
| InChI |
InChI=1S/C14H22O4/c1-3-5-6-7-8-12-18-14(16)10-9-13(15)17-11-4-2/h4,9-10H,2-3,5-8,11-12H2,1H3/b10-9+ |
| InChIKey |
VKHXWQMDUBLCFL-MDZDMXLPSA-N |
| Molecular Weight |
254.326 g/mol |
| SMILES |
C(\C=C\C(OCC=C)=O)(OCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938719 |
