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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 2-chlorophenyl hexyl ester
SpectraBase Compound ID Is3h4Ac5Dc7
InChI InChI=1S/C20H27ClO4/c1-2-3-4-9-14-24-19(22)15-10-5-6-11-16(15)20(23)25-18-13-8-7-12-17(18)21/h7-8,12-13,15-16H,2-6,9-11,14H2,1H3
InChIKey WMJNGNFTCBUQKK-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 57pD7Ds5M1M
Name 1,2-Cyclohexanedicarboxylic acid, 2-chlorophenyl hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 366.159787045 u
Formula C20H27ClO4
InChI InChI=1S/C20H27ClO4/c1-2-3-4-9-14-24-19(22)15-10-5-6-11-16(15)20(23)25-18-13-8-7-12-17(18)21/h7-8,12-13,15-16H,2-6,9-11,14H2,1H3
InChIKey WMJNGNFTCBUQKK-UHFFFAOYSA-N
Molecular Weight 366.885 g/mol
SMILES C(C1CCCCC1C(=O)OC1=C(C=CC=C1)Cl)(OCCCCCC)=O