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

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Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 4-biphenyl ester
SpectraBase Compound ID 2NrI4jW9y5H
InChI InChI=1S/C22H18F8O4/c23-19(24)21(27,28)22(29,30)20(25,26)13-33-17(31)7-4-8-18(32)34-16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-3,5-6,9-12,19H,4,7-8,13H2
InChIKey VJNSVNVJOCWDCP-UHFFFAOYSA-N
Mol Weight 498.37 g/mol
Molecular Formula C22H18F8O4
Exact Mass 498.107734 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9LpysT26eng
Name Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 4-biphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 498.107734360 u
Formula C22H18F8O4
InChI InChI=1S/C22H18F8O4/c23-19(24)21(27,28)22(29,30)20(25,26)13-33-17(31)7-4-8-18(32)34-16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-3,5-6,9-12,19H,4,7-8,13H2
InChIKey VJNSVNVJOCWDCP-UHFFFAOYSA-N
Molecular Weight 498.369 g/mol
SMILES C1=CC=C(C=C1)C1=CC=C(OC(=O)CCCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C=C1