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1,2-Cyclohexanedicarboxylic acid, 2,3-dichlorophenyl isobutyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 2,3-dichlorophenyl isobutyl ester
SpectraBase Compound ID 1bR49NrcdRE
InChI InChI=1S/C18H22Cl2O4/c1-11(2)10-23-17(21)12-6-3-4-7-13(12)18(22)24-15-9-5-8-14(19)16(15)20/h5,8-9,11-13H,3-4,6-7,10H2,1-2H3
InChIKey YUJABUHWZZPCJM-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 r4dnuFXt4t
Name 1,2-Cyclohexanedicarboxylic acid, 2,3-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)12-6-3-4-7-13(12)18(22)24-15-9-5-8-14(19)16(15)20/h5,8-9,11-13H,3-4,6-7,10H2,1-2H3
InChIKey YUJABUHWZZPCJM-UHFFFAOYSA-N
Molecular Weight 373.276 g/mol
SMILES C1(=C(C(=CC=C1)Cl)Cl)OC(C1CCCCC1C(OCC(C)C)=O)=O