| SpectraBase Spectrum ID |
LGrchpMvlSw |
| Name |
Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl farnesyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
550.232934875 u |
| Formula |
C25H34F8O4 |
| InChI |
InChI=1S/C25H34F8O4/c1-17(2)8-5-9-18(3)10-6-11-19(4)14-15-36-20(34)12-7-13-21(35)37-16-23(28,29)25(32,33)24(30,31)22(26)27/h8,10,14,22H,5-7,9,11-13,15-16H2,1-4H3/b18-10+,19-14+ |
| InChIKey |
CWNDUJFYFXDJHB-VBYAGUOWSA-N |
| Molecular Weight |
550.530 g/mol |
| SMILES |
C(CCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OC\C=C\(CC\C=C\(CCC=C(C)C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929283 |
