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Glutaric acid, 2,3-dichlorophenyl pentafluorobenzyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2,3-dichlorophenyl pentafluorobenzyl ester
SpectraBase Compound ID 3nsJJlcUP8V
InChI InChI=1S/C18H11Cl2F5O4/c19-9-3-1-4-10(13(9)20)29-12(27)6-2-5-11(26)28-7-8-14(21)16(23)18(25)17(24)15(8)22/h1,3-4H,2,5-7H2
InChIKey QKJKMMQWMZNQBV-UHFFFAOYSA-N
Mol Weight 457.18 g/mol
Molecular Formula C18H11Cl2F5O4
Exact Mass 455.995455 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LUFZCPggqjE
Name Glutaric acid, 2,3-dichlorophenyl pentafluorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 455.995455045 u
Formula C18H11Cl2F5O4
InChI InChI=1S/C18H11Cl2F5O4/c19-9-3-1-4-10(13(9)20)29-12(27)6-2-5-11(26)28-7-8-14(21)16(23)18(25)17(24)15(8)22/h1,3-4H,2,5-7H2
InChIKey QKJKMMQWMZNQBV-UHFFFAOYSA-N
Molecular Weight 457.180 g/mol
SMILES C(CCC(OC1=C(C(=CC=C1)Cl)Cl)=O)C(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O