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1,2-Cyclohexanedicarboxylic acid, butyl 2,3-dichlorophenyl ester
SpectraBase Compound ID 9IJ6O0DuKCQ
InChI InChI=1S/C18H22Cl2O4/c1-2-3-11-23-17(21)12-7-4-5-8-13(12)18(22)24-15-10-6-9-14(19)16(15)20/h6,9-10,12-13H,2-5,7-8,11H2,1H3
InChIKey UWFRKKNUPXASQX-UHFFFAOYSA-N
Mol Weight 373.28 g/mol
Molecular Formula C18H22Cl2O4
Exact Mass 372.089515 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LBO6npjd1qZ
Name 1,2-Cyclohexanedicarboxylic acid, butyl 2,3-dichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 372.089514584 u
Formula C18H22Cl2O4
InChI InChI=1S/C18H22Cl2O4/c1-2-3-11-23-17(21)12-7-4-5-8-13(12)18(22)24-15-10-6-9-14(19)16(15)20/h6,9-10,12-13H,2-5,7-8,11H2,1H3
InChIKey UWFRKKNUPXASQX-UHFFFAOYSA-N
Molecular Weight 373.276 g/mol
SMILES C1(=C(C(=CC=C1)Cl)Cl)OC(C1CCCCC1C(OCCCC)=O)=O