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1,2-Cyclohexanedicarboxylic acid, 2-fluorophenyl isohexyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 2-fluorophenyl isohexyl ester
SpectraBase Compound ID 6OSAfl5VZY7
InChI InChI=1S/C20H27FO4/c1-14(2)8-7-13-24-19(22)15-9-3-4-10-16(15)20(23)25-18-12-6-5-11-17(18)21/h5-6,11-12,14-16H,3-4,7-10,13H2,1-2H3
InChIKey DTRNYKHZJCXWGP-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 KJgpSw9g6Jm
Name 1,2-Cyclohexanedicarboxylic acid, 2-fluorophenyl isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 350.189337508 u
Formula C20H27FO4
InChI InChI=1S/C20H27FO4/c1-14(2)8-7-13-24-19(22)15-9-3-4-10-16(15)20(23)25-18-12-6-5-11-17(18)21/h5-6,11-12,14-16H,3-4,7-10,13H2,1-2H3
InChIKey DTRNYKHZJCXWGP-UHFFFAOYSA-N
Molecular Weight 350.430 g/mol
SMILES C1=C(C(=CC=C1)F)OC(C1CCCCC1C(OCCCC(C)C)=O)=O