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Glutaric acid, 2,4,6-trichlorophenyl pentafluorobenzyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2,4,6-trichlorophenyl pentafluorobenzyl ester
SpectraBase Compound ID Cclx8FZEAfL
InChI InChI=1S/C18H10Cl3F5O4/c19-7-4-9(20)18(10(21)5-7)30-12(28)3-1-2-11(27)29-6-8-13(22)15(24)17(26)16(25)14(8)23/h4-5H,1-3,6H2
InChIKey HAMSANOUJCSSOD-UHFFFAOYSA-N
Mol Weight 491.63 g/mol
Molecular Formula C18H10Cl3F5O4
Exact Mass 489.956483 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FEbnAigE4TE
Name Glutaric acid, 2,4,6-trichlorophenyl pentafluorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 489.956482713 u
Formula C18H10Cl3F5O4
InChI InChI=1S/C18H10Cl3F5O4/c19-7-4-9(20)18(10(21)5-7)30-12(28)3-1-2-11(27)29-6-8-13(22)15(24)17(26)16(25)14(8)23/h4-5H,1-3,6H2
InChIKey HAMSANOUJCSSOD-UHFFFAOYSA-N
Molecular Weight 491.625 g/mol
SMILES C(CCC(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)C(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O