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1,2-Cyclohexanedicarboxylic acid, di(2-methylcyclohexyl) ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, di(2-methylcyclohexyl) ester
SpectraBase Compound ID 4pH46N1s7Pi
InChI InChI=1S/C22H36O4/c1-15-9-3-7-13-19(15)25-21(23)17-11-5-6-12-18(17)22(24)26-20-14-8-4-10-16(20)2/h15-20H,3-14H2,1-2H3
InChIKey GWFUSSMLDJQXKE-UHFFFAOYSA-N
Mol Weight 364.5 g/mol
Molecular Formula C22H36O4
Exact Mass 364.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5I2c24mSOFT
Name 1,2-Cyclohexanedicarboxylic acid, di(2-methylcyclohexyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 364.261359635 u
Formula C22H36O4
InChI InChI=1S/C22H36O4/c1-15-9-3-7-13-19(15)25-21(23)17-11-5-6-12-18(17)22(24)26-20-14-8-4-10-16(20)2/h15-20H,3-14H2,1-2H3
InChIKey GWFUSSMLDJQXKE-UHFFFAOYSA-N
Molecular Weight 364.526 g/mol
SMILES C(C1CCCCC1C(OC1C(C)CCCC1)=O)(=O)OC1C(CCCC1)C