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Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl farnesyl ester

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Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl farnesyl ester
SpectraBase Compound ID J1zU9r1RR7r
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
Mol Weight 550.5 g/mol
Molecular Formula C25H34F8O4
Exact Mass 550.232935 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 68NXXFCcv09
Name Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl farnesyl ester
Comments Computed using HOSE algorithm
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