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Glutaric acid, 3-chlorophenyl trans-4-tert-butylcyclohexyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 3-chlorophenyl trans-4-tert-butylcyclohexyl ester
SpectraBase Compound ID 9STY3WLnI6F
InChI InChI=1S/C21H29ClO4/c1-21(2,3)15-10-12-17(13-11-15)25-19(23)8-5-9-20(24)26-18-7-4-6-16(22)14-18/h4,6-7,14-15,17H,5,8-13H2,1-3H3
InChIKey QEEYFQADBLTCOI-UHFFFAOYSA-N
Mol Weight 380.91 g/mol
Molecular Formula C21H29ClO4
Exact Mass 380.175437 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KY0xUQS4ert
Name Glutaric acid, 3-chlorophenyl trans-4-tert-butylcyclohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 380.175437110 u
Formula C21H29ClO4
InChI InChI=1S/C21H29ClO4/c1-21(2,3)15-10-12-17(13-11-15)25-19(23)8-5-9-20(24)26-18-7-4-6-16(22)14-18/h4,6-7,14-15,17H,5,8-13H2,1-3H3
InChIKey QEEYFQADBLTCOI-UHFFFAOYSA-N
Molecular Weight 380.912 g/mol
SMILES C(CCC(OC1=CC(=CC=C1)Cl)=O)C(OC1CCC(C(C)(C)C)CC1)=O