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Succinic acid, nonyl 1-(pentafluorophenyl)ethyl ester

View entire compound with spectra: 1 NMR

Succinic acid, nonyl 1-(pentafluorophenyl)ethyl ester
SpectraBase Compound ID KjCEMP2vdTo
InChI InChI=1S/C21H27F5O4/c1-3-4-5-6-7-8-9-12-29-14(27)10-11-15(28)30-13(2)16-17(22)19(24)21(26)20(25)18(16)23/h13H,3-12H2,1-2H3
InChIKey VZQTXCNJAXWOBV-UHFFFAOYSA-N
Mol Weight 438.44 g/mol
Molecular Formula C21H27F5O4
Exact Mass 438.18295 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7J76M3Kegpl
Name Succinic acid, nonyl 1-(pentafluorophenyl)ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.182950160 u
Formula C21H27F5O4
InChI InChI=1S/C21H27F5O4/c1-3-4-5-6-7-8-9-12-29-14(27)10-11-15(28)30-13(2)16-17(22)19(24)21(26)20(25)18(16)23/h13H,3-12H2,1-2H3
InChIKey VZQTXCNJAXWOBV-UHFFFAOYSA-N
Molecular Weight 438.435 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)C(OC(=O)CCC(OCCCCCCCCC)=O)C)F)F)F