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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 3-fluorophenyl octyl ester
SpectraBase Compound ID HgCIJduBD8i
InChI InChI=1S/C22H31FO4/c1-2-3-4-5-6-9-15-26-21(24)19-13-7-8-14-20(19)22(25)27-18-12-10-11-17(23)16-18/h10-12,16,19-20H,2-9,13-15H2,1H3
InChIKey RMBWDOAYNPQBQY-UHFFFAOYSA-N
Mol Weight 378.48 g/mol
Molecular Formula C22H31FO4
Exact Mass 378.220638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 51aZx2hN5nY
Name 1,2-Cyclohexanedicarboxylic acid, 3-fluorophenyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 378.220637637 u
Formula C22H31FO4
InChI InChI=1S/C22H31FO4/c1-2-3-4-5-6-9-15-26-21(24)19-13-7-8-14-20(19)22(25)27-18-12-10-11-17(23)16-18/h10-12,16,19-20H,2-9,13-15H2,1H3
InChIKey RMBWDOAYNPQBQY-UHFFFAOYSA-N
Molecular Weight 378.484 g/mol
SMILES CCCCCCCCOC(C1CCCCC1C(OC1=CC(=CC=C1)F)=O)=O