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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, propyl 2,4,6-trichlorophenyl ester
SpectraBase Compound ID DekwYAuykxA
InChI InChI=1S/C17H19Cl3O4/c1-2-7-23-16(21)11-5-3-4-6-12(11)17(22)24-15-13(19)8-10(18)9-14(15)20/h8-9,11-12H,2-7H2,1H3
InChIKey GLZUTZREYQLZHV-UHFFFAOYSA-N
Mol Weight 393.69 g/mol
Molecular Formula C17H19Cl3O4
Exact Mass 392.034892 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 13G3K0GrOAw
Name 1,2-Cyclohexanedicarboxylic acid, propyl 2,4,6-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 392.034892188 u
Formula C17H19Cl3O4
InChI InChI=1S/C17H19Cl3O4/c1-2-7-23-16(21)11-5-3-4-6-12(11)17(22)24-15-13(19)8-10(18)9-14(15)20/h8-9,11-12H,2-7H2,1H3
InChIKey GLZUTZREYQLZHV-UHFFFAOYSA-N
Molecular Weight 393.694 g/mol
SMILES C1(=C(C(=CC(=C1)Cl)Cl)OC(C1C(CCCC1)C(OCCC)=O)=O)Cl