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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 4-chloro-3-methylphenyl pentyl ester
SpectraBase Compound ID FE194mVxbUP
InChI InChI=1S/C20H27ClO4/c1-3-4-7-12-24-19(22)16-8-5-6-9-17(16)20(23)25-15-10-11-18(21)14(2)13-15/h10-11,13,16-17H,3-9,12H2,1-2H3
InChIKey WKQMDOFIKIRICE-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 3TRSakpNIhL
Name 1,2-Cyclohexanedicarboxylic acid, 4-chloro-3-methylphenyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 366.159787045 u
Formula C20H27ClO4
InChI InChI=1S/C20H27ClO4/c1-3-4-7-12-24-19(22)16-8-5-6-9-17(16)20(23)25-15-10-11-18(21)14(2)13-15/h10-11,13,16-17H,3-9,12H2,1-2H3
InChIKey WKQMDOFIKIRICE-UHFFFAOYSA-N
Molecular Weight 366.885 g/mol
SMILES C1CCCC(C1C(OCCCCC)=O)C(=O)OC1=CC=C(C(=C1)C)Cl