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1,2-Cyclohexanedicarboxylic acid, 2-chlorophenyl isohexyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 2-chlorophenyl isohexyl ester
SpectraBase Compound ID 31e0PxEQ0sE
InChI InChI=1S/C20H27ClO4/c1-14(2)8-7-13-24-19(22)15-9-3-4-10-16(15)20(23)25-18-12-6-5-11-17(18)21/h5-6,11-12,14-16H,3-4,7-10,13H2,1-2H3
InChIKey SIQKPUBVZJPFQD-UHFFFAOYSA-N
Mol Weight 366.89 g/mol
Molecular Formula C20H27ClO4
Exact Mass 366.159787 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I7xNtt2tnvZ
Name 1,2-Cyclohexanedicarboxylic acid, 2-chlorophenyl isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 366.159787045 u
Formula C20H27ClO4
InChI InChI=1S/C20H27ClO4/c1-14(2)8-7-13-24-19(22)15-9-3-4-10-16(15)20(23)25-18-12-6-5-11-17(18)21/h5-6,11-12,14-16H,3-4,7-10,13H2,1-2H3
InChIKey SIQKPUBVZJPFQD-UHFFFAOYSA-N
Molecular Weight 366.885 g/mol
SMILES C(C1CCCCC1C(=O)OC1=C(C=CC=C1)Cl)(OCCCC(C)C)=O