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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 3-fluorophenyl nonyl ester
SpectraBase Compound ID JoqWh5jqPXj
InChI InChI=1S/C23H33FO4/c1-2-3-4-5-6-7-10-16-27-22(25)20-14-8-9-15-21(20)23(26)28-19-13-11-12-18(24)17-19/h11-13,17,20-21H,2-10,14-16H2,1H3
InChIKey KKDVPZNHXGNWEO-UHFFFAOYSA-N
Mol Weight 392.5 g/mol
Molecular Formula C23H33FO4
Exact Mass 392.236288 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HyLV8h0mDCI
Name 1,2-Cyclohexanedicarboxylic acid, 3-fluorophenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 392.236287702 u
Formula C23H33FO4
InChI InChI=1S/C23H33FO4/c1-2-3-4-5-6-7-10-16-27-22(25)20-14-8-9-15-21(20)23(26)28-19-13-11-12-18(24)17-19/h11-13,17,20-21H,2-10,14-16H2,1H3
InChIKey KKDVPZNHXGNWEO-UHFFFAOYSA-N
Molecular Weight 392.511 g/mol
SMILES CCCCCCCCCOC(C1CCCCC1C(OC1=CC(=CC=C1)F)=O)=O