| SpectraBase Spectrum ID |
8lnlszAIIJv |
| Name |
Adipic acid, cis-non-3-enyl pentyl 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/c1-3-5-7-8-9-10-14-18-24-20(22)16-12-11-15-19(21)23-17-13-6-4-2/h9-10H,3-8,11-18H2,1-2H3/b10-9- |
| InChIKey |
PDDUHRJLIGCQJP-KTKRTIGZSA-N |
| Molecular Weight |
340.504 g/mol |
| SMILES |
C(CCCC(OCC\C=C/CCCCC)=O)C(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92504 |
