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1,2-Cyclohexanedicarboxylic acid, 3-chlorophenyl hexyl ester
SpectraBase Compound ID Eq8kXscQdUS
InChI InChI=1S/C20H27ClO4/c1-2-3-4-7-13-24-19(22)17-11-5-6-12-18(17)20(23)25-16-10-8-9-15(21)14-16/h8-10,14,17-18H,2-7,11-13H2,1H3
InChIKey XZHVCOYELAABKO-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 CIFnCRoxofH
Name 1,2-Cyclohexanedicarboxylic acid, 3-chlorophenyl hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 366.159787045 u
Formula C20H27ClO4
InChI InChI=1S/C20H27ClO4/c1-2-3-4-7-13-24-19(22)17-11-5-6-12-18(17)20(23)25-16-10-8-9-15(21)14-16/h8-10,14,17-18H,2-7,11-13H2,1H3
InChIKey XZHVCOYELAABKO-UHFFFAOYSA-N
Molecular Weight 366.885 g/mol
SMILES C1CC(C(CC1)C(=O)OC1=CC=CC(=C1)Cl)C(OCCCCCC)=O