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Succinic acid, 8-chlorooctyl pentafluorobenzyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 8-chlorooctyl pentafluorobenzyl ester
SpectraBase Compound ID KhkTJCEUDDb
InChI InChI=1S/C19H22ClF5O4/c20-9-5-3-1-2-4-6-10-28-13(26)7-8-14(27)29-11-12-15(21)17(23)19(25)18(24)16(12)22/h1-11H2
InChIKey YLQFBOCVIAEUSV-UHFFFAOYSA-N
Mol Weight 444.83 g/mol
Molecular Formula C19H22ClF5O4
Exact Mass 444.112678 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2tFZK8Rw12
Name Succinic acid, 8-chlorooctyl pentafluorobenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.112677699 u
Formula C19H22ClF5O4
InChI InChI=1S/C19H22ClF5O4/c20-9-5-3-1-2-4-6-10-28-13(26)7-8-14(27)29-11-12-15(21)17(23)19(25)18(24)16(12)22/h1-11H2
InChIKey YLQFBOCVIAEUSV-UHFFFAOYSA-N
Molecular Weight 444.826 g/mol
SMILES C(CC(OCCCCCCCCCl)=O)C(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O