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Glutaric acid, heptyl 1-(pentafluorophenyl)ethyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, heptyl 1-(pentafluorophenyl)ethyl ester
SpectraBase Compound ID 66ZT5ofIEeH
InChI InChI=1S/C20H25F5O4/c1-3-4-5-6-7-11-28-13(26)9-8-10-14(27)29-12(2)15-16(21)18(23)20(25)19(24)17(15)22/h12H,3-11H2,1-2H3
InChIKey UESMNNAXOCOCHJ-UHFFFAOYSA-N
Mol Weight 424.41 g/mol
Molecular Formula C20H25F5O4
Exact Mass 424.1673 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jc3AKHFCYMK
Name Glutaric acid, heptyl 1-(pentafluorophenyl)ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.167300096 u
Formula C20H25F5O4
InChI InChI=1S/C20H25F5O4/c1-3-4-5-6-7-11-28-13(26)9-8-10-14(27)29-12(2)15-16(21)18(23)20(25)19(24)17(15)22/h12H,3-11H2,1-2H3
InChIKey UESMNNAXOCOCHJ-UHFFFAOYSA-N
Molecular Weight 424.408 g/mol
SMILES C(OC(C)C1=C(C(=C(C(=C1F)F)F)F)F)(=O)CCCC(OCCCCCCC)=O