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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, butyl (2-chlorocyclohexyl)methyl ester
SpectraBase Compound ID L4Uzf0Nz0jn
InChI InChI=1S/C19H31ClO4/c1-2-3-12-23-18(21)15-9-5-6-10-16(15)19(22)24-13-14-8-4-7-11-17(14)20/h14-17H,2-13H2,1H3
InChIKey XFPHHUMJZXFZPD-UHFFFAOYSA-N
Mol Weight 358.91 g/mol
Molecular Formula C19H31ClO4
Exact Mass 358.191087 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID k15fiwfIDS
Name 1,2-Cyclohexanedicarboxylic acid, butyl (2-chlorocyclohexyl)methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.191087174 u
Formula C19H31ClO4
InChI InChI=1S/C19H31ClO4/c1-2-3-12-23-18(21)15-9-5-6-10-16(15)19(22)24-13-14-8-4-7-11-17(14)20/h14-17H,2-13H2,1H3
InChIKey XFPHHUMJZXFZPD-UHFFFAOYSA-N
Molecular Weight 358.906 g/mol
SMILES CCCCOC(C1C(C(=O)OCC2CCCCC2Cl)CCCC1)=O