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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 2,3-dichlorophenyl hexyl ester
SpectraBase Compound ID 5EYaSqCo5uv
InChI InChI=1S/C20H26Cl2O4/c1-2-3-4-7-13-25-19(23)14-9-5-6-10-15(14)20(24)26-17-12-8-11-16(21)18(17)22/h8,11-12,14-15H,2-7,9-10,13H2,1H3
InChIKey WZEVKCBQMUBBAE-UHFFFAOYSA-N
Mol Weight 401.33 g/mol
Molecular Formula C20H26Cl2O4
Exact Mass 400.120815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8kLYKpu2Bbk
Name 1,2-Cyclohexanedicarboxylic acid, 2,3-dichlorophenyl hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 400.120814713 u
Formula C20H26Cl2O4
InChI InChI=1S/C20H26Cl2O4/c1-2-3-4-7-13-25-19(23)14-9-5-6-10-15(14)20(24)26-17-12-8-11-16(21)18(17)22/h8,11-12,14-15H,2-7,9-10,13H2,1H3
InChIKey WZEVKCBQMUBBAE-UHFFFAOYSA-N
Molecular Weight 401.330 g/mol
SMILES C1(=C(C(=CC=C1)Cl)Cl)OC(C1CCCCC1C(OCCCCCC)=O)=O