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1,2-Cyclohexanedicarboxylic acid, 3-fluorophenyl hexyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 3-fluorophenyl hexyl ester
SpectraBase Compound ID DaaDiTf0o4i
InChI InChI=1S/C20H27FO4/c1-2-3-4-7-13-24-19(22)17-11-5-6-12-18(17)20(23)25-16-10-8-9-15(21)14-16/h8-10,14,17-18H,2-7,11-13H2,1H3
InChIKey GKRBQWLFVGXZDI-UHFFFAOYSA-N
Mol Weight 350.43 g/mol
Molecular Formula C20H27FO4
Exact Mass 350.189338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7VUvMHpjFKt
Name 1,2-Cyclohexanedicarboxylic acid, 3-fluorophenyl hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 350.189337508 u
Formula C20H27FO4
InChI InChI=1S/C20H27FO4/c1-2-3-4-7-13-24-19(22)17-11-5-6-12-18(17)20(23)25-16-10-8-9-15(21)14-16/h8-10,14,17-18H,2-7,11-13H2,1H3
InChIKey GKRBQWLFVGXZDI-UHFFFAOYSA-N
Molecular Weight 350.430 g/mol
SMILES CCCCCCOC(C1CCCCC1C(OC1=CC(=CC=C1)F)=O)=O