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Glutaric acid, 3-chlorophenyl pentafluorobenzyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 3-chlorophenyl pentafluorobenzyl ester
SpectraBase Compound ID HHfl2MYdJlU
InChI InChI=1S/C18H12ClF5O4/c19-9-3-1-4-10(7-9)28-13(26)6-2-5-12(25)27-8-11-14(20)16(22)18(24)17(23)15(11)21/h1,3-4,7H,2,5-6,8H2
InChIKey FULGMPMOTRLWGS-UHFFFAOYSA-N
Mol Weight 422.74 g/mol
Molecular Formula C18H12ClF5O4
Exact Mass 422.034427 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 21LObfnTX5E
Name Glutaric acid, 3-chlorophenyl pentafluorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 422.034427377 u
Formula C18H12ClF5O4
InChI InChI=1S/C18H12ClF5O4/c19-9-3-1-4-10(7-9)28-13(26)6-2-5-12(25)27-8-11-14(20)16(22)18(24)17(23)15(11)21/h1,3-4,7H,2,5-6,8H2
InChIKey FULGMPMOTRLWGS-UHFFFAOYSA-N
Molecular Weight 422.735 g/mol
SMILES C(CCC(OC1=CC(=CC=C1)Cl)=O)C(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O