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Succinic acid, cyclohexylmethyl cis-4-tert-butylcyclohexyl ester
SpectraBase Compound ID FVsSg74cWfS
InChI InChI=1S/C21H36O4/c1-21(2,3)17-9-11-18(12-10-17)25-20(23)14-13-19(22)24-15-16-7-5-4-6-8-16/h16-18H,4-15H2,1-3H3
InChIKey QPYDTLBLTZOHGN-UHFFFAOYSA-N
Mol Weight 352.5 g/mol
Molecular Formula C21H36O4
Exact Mass 352.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9C6waIbGFkY
Name Succinic acid, cyclohexylmethyl cis-4-tert-butylcyclohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 352.261359635 u
Formula C21H36O4
InChI InChI=1S/C21H36O4/c1-21(2,3)17-9-11-18(12-10-17)25-20(23)14-13-19(22)24-15-16-7-5-4-6-8-16/h16-18H,4-15H2,1-3H3
InChIKey QPYDTLBLTZOHGN-UHFFFAOYSA-N
Molecular Weight 352.515 g/mol
SMILES C(CC(OCC1CCCCC1)=O)C(OC1CCC(C(C)(C)C)CC1)=O