| SpectraBase Spectrum ID |
Kklqz8XyeSs |
| Name |
Citronellyl icosanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
450.443681106 u |
| Formula |
C30H58O2 |
| InChI |
InChI=1S/C30H58O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-30(31)32-27-26-29(4)24-22-23-28(2)3/h23,29H,5-22,24-27H2,1-4H3 |
| InChIKey |
FOLPDVUJZANDCH-UHFFFAOYSA-N |
| Molecular Weight |
450.792 g/mol |
| SMILES |
C(CCCCCCCCCCCCCCCCCCC)(=O)OCCC(CCC=C(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938136 |
