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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 3-chlorophenyl isobutyl ester
SpectraBase Compound ID Gr7hE5RKIj6
InChI InChI=1S/C18H23ClO4/c1-12(2)11-22-17(20)15-8-3-4-9-16(15)18(21)23-14-7-5-6-13(19)10-14/h5-7,10,12,15-16H,3-4,8-9,11H2,1-2H3
InChIKey KTECVHABHIPEJX-UHFFFAOYSA-N
Mol Weight 338.83 g/mol
Molecular Formula C18H23ClO4
Exact Mass 338.128487 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5viN7d89TWm
Name 1,2-Cyclohexanedicarboxylic acid, 3-chlorophenyl isobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 338.128486917 u
Formula C18H23ClO4
InChI InChI=1S/C18H23ClO4/c1-12(2)11-22-17(20)15-8-3-4-9-16(15)18(21)23-14-7-5-6-13(19)10-14/h5-7,10,12,15-16H,3-4,8-9,11H2,1-2H3
InChIKey KTECVHABHIPEJX-UHFFFAOYSA-N
Molecular Weight 338.831 g/mol
SMILES CC(C)COC(C1CCCCC1C(=O)OC1=CC=CC(=C1)Cl)=O