| SpectraBase Spectrum ID |
8riXMfM2xgD |
| Name |
Adipic acid, .beta.-citronellyl butyl 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/c1-5-6-15-23-19(21)12-7-8-13-20(22)24-16-14-18(4)11-9-10-17(2)3/h10,18H,5-9,11-16H2,1-4H3 |
| InChIKey |
SRFXGQKZZOBJIX-UHFFFAOYSA-N |
| Molecular Weight |
340.504 g/mol |
| SMILES |
C(CCCC(OCCC(C)CCC=C(C)C)=O)C(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841882 |
