| SpectraBase Spectrum ID |
Dav4HH0cg3U |
| Name |
Adipic acid, .beta.-citronellyl isobutyl 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/c1-16(2)9-8-10-18(5)13-14-23-19(21)11-6-7-12-20(22)24-15-17(3)4/h9,17-18H,6-8,10-15H2,1-5H3 |
| InChIKey |
PUYZMUIRNVXGCD-UHFFFAOYSA-N |
| Molecular Weight |
340.504 g/mol |
| SMILES |
C(CCCC(OCCC(C)CCC=C(C)C)=O)C(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946941 |
