| SpectraBase Spectrum ID |
50lXl6BIM3W |
| Name |
Succinic acid, heptyl non-4-enyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.261359635 u |
| Formula |
C20H36O4 |
| InChI |
InChI=1S/C20H36O4/c1-3-5-7-9-10-12-14-18-24-20(22)16-15-19(21)23-17-13-11-8-6-4-2/h9-10H,3-8,11-18H2,1-2H3/b10-9+ |
| InChIKey |
RYTOBIGMXPHTFE-MDZDMXLPSA-N |
| Molecular Weight |
340.504 g/mol |
| SMILES |
CCCC\C=C\CCCOC(CCC(OCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912785 |
