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1,2-Cyclohexanedicarboxylic acid, (2-chlorocyclohexyl)methyl pentyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, (2-chlorocyclohexyl)methyl pentyl ester
SpectraBase Compound ID FGttfNmBNyP
InChI InChI=1S/C20H33ClO4/c1-2-3-8-13-24-19(22)16-10-5-6-11-17(16)20(23)25-14-15-9-4-7-12-18(15)21/h15-18H,2-14H2,1H3
InChIKey RYVGHSURQYMIMD-UHFFFAOYSA-N
Mol Weight 372.9 g/mol
Molecular Formula C20H33ClO4
Exact Mass 372.206737 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BBZA1SolmGJ
Name 1,2-Cyclohexanedicarboxylic acid, (2-chlorocyclohexyl)methyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 372.206737239 u
Formula C20H33ClO4
InChI InChI=1S/C20H33ClO4/c1-2-3-8-13-24-19(22)16-10-5-6-11-17(16)20(23)25-14-15-9-4-7-12-18(15)21/h15-18H,2-14H2,1H3
InChIKey RYVGHSURQYMIMD-UHFFFAOYSA-N
Molecular Weight 372.933 g/mol
SMILES CCCCCOC(C1C(C(=O)OCC2CCCCC2Cl)CCCC1)=O