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1,2-Cyclohexanedicarboxylic acid, hexyl 2,4,6-trichlorophenyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, hexyl 2,4,6-trichlorophenyl ester
SpectraBase Compound ID 351VXTF5W7O
InChI InChI=1S/C20H25Cl3O4/c1-2-3-4-7-10-26-19(24)14-8-5-6-9-15(14)20(25)27-18-16(22)11-13(21)12-17(18)23/h11-12,14-15H,2-10H2,1H3
InChIKey MUVXKQDJIMUPLM-UHFFFAOYSA-N
Mol Weight 435.78 g/mol
Molecular Formula C20H25Cl3O4
Exact Mass 434.081842 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AsC6KInpsNU
Name 1,2-Cyclohexanedicarboxylic acid, hexyl 2,4,6-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 434.081842381 u
Formula C20H25Cl3O4
InChI InChI=1S/C20H25Cl3O4/c1-2-3-4-7-10-26-19(24)14-8-5-6-9-15(14)20(25)27-18-16(22)11-13(21)12-17(18)23/h11-12,14-15H,2-10H2,1H3
InChIKey MUVXKQDJIMUPLM-UHFFFAOYSA-N
Molecular Weight 435.775 g/mol
SMILES CCCCCCOC(C1C(C(=O)OC2=C(C=C(C=C2Cl)Cl)Cl)CCCC1)=O