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Succinic acid, 2-bromo-4-fluorophenyl pentafluorobenzyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 2-bromo-4-fluorophenyl pentafluorobenzyl ester
SpectraBase Compound ID K3SSNQqYZAm
InChI InChI=1S/C17H9BrF6O4/c18-9-5-7(19)1-2-10(9)28-12(26)4-3-11(25)27-6-8-13(20)15(22)17(24)16(23)14(8)21/h1-2,5H,3-4,6H2
InChIKey YJWWNPPVCHQUHP-UHFFFAOYSA-N
Mol Weight 471.15 g/mol
Molecular Formula C17H9BrF6O4
Exact Mass 469.958841 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7i1LGfK4G9D
Name Succinic acid, 2-bromo-4-fluorophenyl pentafluorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 469.958840744 u
Formula C17H9BrF6O4
InChI InChI=1S/C17H9BrF6O4/c18-9-5-7(19)1-2-10(9)28-12(26)4-3-11(25)27-6-8-13(20)15(22)17(24)16(23)14(8)21/h1-2,5H,3-4,6H2
InChIKey YJWWNPPVCHQUHP-UHFFFAOYSA-N
Molecular Weight 471.149 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)COC(CCC(OC1=CC=C(C=C1Br)F)=O)=O)F)F)F