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1,2-Cyclohexanedicarboxylic acid, 2,5-dichlorophenyl isobutyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 2,5-dichlorophenyl isobutyl ester
SpectraBase Compound ID GM1SdevIgV1
InChI InChI=1S/C18H22Cl2O4/c1-11(2)10-23-17(21)13-5-3-4-6-14(13)18(22)24-16-9-12(19)7-8-15(16)20/h7-9,11,13-14H,3-6,10H2,1-2H3
InChIKey PRZLLEOYJKKUJN-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 3Puhy9kWipd
Name 1,2-Cyclohexanedicarboxylic acid, 2,5-dichlorophenyl isobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 372.089514584 u
Formula C18H22Cl2O4
InChI InChI=1S/C18H22Cl2O4/c1-11(2)10-23-17(21)13-5-3-4-6-14(13)18(22)24-16-9-12(19)7-8-15(16)20/h7-9,11,13-14H,3-6,10H2,1-2H3
InChIKey PRZLLEOYJKKUJN-UHFFFAOYSA-N
Molecular Weight 373.276 g/mol
SMILES C(C1CCCCC1C(OCC(C)C)=O)(=O)OC1=CC(=CC=C1Cl)Cl