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1,2-Cyclohexanedicarboxylic acid, 4-chloro-3-methylphenyl isobutyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 4-chloro-3-methylphenyl isobutyl ester
SpectraBase Compound ID DANwZ4bKP6o
InChI InChI=1S/C19H25ClO4/c1-12(2)11-23-18(21)15-6-4-5-7-16(15)19(22)24-14-8-9-17(20)13(3)10-14/h8-10,12,15-16H,4-7,11H2,1-3H3
InChIKey DFPHCPYOPJAKAA-UHFFFAOYSA-N
Mol Weight 352.86 g/mol
Molecular Formula C19H25ClO4
Exact Mass 352.144137 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ZLetE3Rtty
Name 1,2-Cyclohexanedicarboxylic acid, 4-chloro-3-methylphenyl isobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 352.144136981 u
Formula C19H25ClO4
InChI InChI=1S/C19H25ClO4/c1-12(2)11-23-18(21)15-6-4-5-7-16(15)19(22)24-14-8-9-17(20)13(3)10-14/h8-10,12,15-16H,4-7,11H2,1-3H3
InChIKey DFPHCPYOPJAKAA-UHFFFAOYSA-N
Molecular Weight 352.858 g/mol
SMILES C1CC(C(CC1)C(=O)OC1=CC=C(C(=C1)C)Cl)C(OCC(C)C)=O