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1,2-Cyclohexanedicarboxylic acid, 2,5-dichlorophenyl hexyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 2,5-dichlorophenyl hexyl ester
SpectraBase Compound ID D5cfztpwk7b
InChI InChI=1S/C20H26Cl2O4/c1-2-3-4-7-12-25-19(23)15-8-5-6-9-16(15)20(24)26-18-13-14(21)10-11-17(18)22/h10-11,13,15-16H,2-9,12H2,1H3
InChIKey QSNSOJBPJBXNTE-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 7HXu6VFqknS
Name 1,2-Cyclohexanedicarboxylic acid, 2,5-dichlorophenyl hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 400.120814713 u
Formula C20H26Cl2O4
InChI InChI=1S/C20H26Cl2O4/c1-2-3-4-7-12-25-19(23)15-8-5-6-9-16(15)20(24)26-18-13-14(21)10-11-17(18)22/h10-11,13,15-16H,2-9,12H2,1H3
InChIKey QSNSOJBPJBXNTE-UHFFFAOYSA-N
Molecular Weight 401.330 g/mol
SMILES C(C1CCCCC1C(OCCCCCC)=O)(=O)OC1=CC(=CC=C1Cl)Cl