| SpectraBase Spectrum ID |
IEtSHqG4b3N |
| Name |
Adipic acid, dec-4-enyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.277009700 u |
| Formula |
C21H38O4 |
| InChI |
InChI=1S/C21H38O4/c1-3-5-7-8-9-10-11-15-19-25-21(23)17-13-12-16-20(22)24-18-14-6-4-2/h9-10H,3-8,11-19H2,1-2H3/b10-9+ |
| InChIKey |
GRJYQNCPDVDRDK-MDZDMXLPSA-N |
| Molecular Weight |
354.531 g/mol |
| SMILES |
C(CCC(OCCC\C=C\CCCCC)=O)CC(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896297 |
