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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, butyl 2,4,6-trichlorophenyl ester
SpectraBase Compound ID 8FraHO7Sm9B
InChI InChI=1S/C18H21Cl3O4/c1-2-3-8-24-17(22)12-6-4-5-7-13(12)18(23)25-16-14(20)9-11(19)10-15(16)21/h9-10,12-13H,2-8H2,1H3
InChIKey UYPZKMWMOWGLMA-UHFFFAOYSA-N
Mol Weight 407.72 g/mol
Molecular Formula C18H21Cl3O4
Exact Mass 406.050542 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5dTI0ZTHQDX
Name 1,2-Cyclohexanedicarboxylic acid, butyl 2,4,6-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 406.050542252 u
Formula C18H21Cl3O4
InChI InChI=1S/C18H21Cl3O4/c1-2-3-8-24-17(22)12-6-4-5-7-13(12)18(23)25-16-14(20)9-11(19)10-15(16)21/h9-10,12-13H,2-8H2,1H3
InChIKey UYPZKMWMOWGLMA-UHFFFAOYSA-N
Molecular Weight 407.721 g/mol
SMILES C(C1CCCCC1C(OCCCC)=O)(=O)OC1=C(C=C(C=C1Cl)Cl)Cl