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Succinic acid, 4-chloro-3-methylphenyl pentafluorobenzyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 4-chloro-3-methylphenyl pentafluorobenzyl ester
SpectraBase Compound ID dE8FlBoezZ
InChI InChI=1S/C18H12ClF5O4/c1-8-6-9(2-3-11(8)19)28-13(26)5-4-12(25)27-7-10-14(20)16(22)18(24)17(23)15(10)21/h2-3,6H,4-5,7H2,1H3
InChIKey FOAVMNZUCOBSSC-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 Bu9SzZpLVWb
Name Succinic acid, 4-chloro-3-methylphenyl pentafluorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 422.034427377 u
Formula C18H12ClF5O4
InChI InChI=1S/C18H12ClF5O4/c1-8-6-9(2-3-11(8)19)28-13(26)5-4-12(25)27-7-10-14(20)16(22)18(24)17(23)15(10)21/h2-3,6H,4-5,7H2,1H3
InChIKey FOAVMNZUCOBSSC-UHFFFAOYSA-N
Molecular Weight 422.735 g/mol
SMILES C(CC(OC1=CC(C)=C(C=C1)Cl)=O)C(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O