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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, isobutyl 2,4,6-trichlorophenyl ester
SpectraBase Compound ID 8VXbUI1N4EK
InChI InChI=1S/C18H21Cl3O4/c1-10(2)9-24-17(22)12-5-3-4-6-13(12)18(23)25-16-14(20)7-11(19)8-15(16)21/h7-8,10,12-13H,3-6,9H2,1-2H3
InChIKey JWLXFBMPAPOBSF-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 EPeAlza4UUN
Name 1,2-Cyclohexanedicarboxylic acid, isobutyl 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/c1-10(2)9-24-17(22)12-5-3-4-6-13(12)18(23)25-16-14(20)7-11(19)8-15(16)21/h7-8,10,12-13H,3-6,9H2,1-2H3
InChIKey JWLXFBMPAPOBSF-UHFFFAOYSA-N
Molecular Weight 407.721 g/mol
SMILES C(C1CCCCC1C(OCC(C)C)=O)(=O)OC1=C(C=C(C=C1Cl)Cl)Cl