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Glutaric acid, 2,3-dichlorophenyl cis-4-tert-butylcyclohexyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2,3-dichlorophenyl cis-4-tert-butylcyclohexyl ester
SpectraBase Compound ID 8U82BZhmxaQ
InChI InChI=1S/C21H28Cl2O4/c1-21(2,3)14-10-12-15(13-11-14)26-18(24)8-5-9-19(25)27-17-7-4-6-16(22)20(17)23/h4,6-7,14-15H,5,8-13H2,1-3H3
InChIKey UXNIHVYSVFSRDN-UHFFFAOYSA-N
Mol Weight 415.36 g/mol
Molecular Formula C21H28Cl2O4
Exact Mass 414.136465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KFsYCB4X7Un
Name Glutaric acid, 2,3-dichlorophenyl cis-4-tert-butylcyclohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 414.136464778 u
Formula C21H28Cl2O4
InChI InChI=1S/C21H28Cl2O4/c1-21(2,3)14-10-12-15(13-11-14)26-18(24)8-5-9-19(25)27-17-7-4-6-16(22)20(17)23/h4,6-7,14-15H,5,8-13H2,1-3H3
InChIKey UXNIHVYSVFSRDN-UHFFFAOYSA-N
Molecular Weight 415.357 g/mol
SMILES C(CCC(OC1=C(C(=CC=C1)Cl)Cl)=O)C(OC1CCC(C(C)(C)C)CC1)=O