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Terephthalic acid, cis-4-tert-butylcyclohexyl hexyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Terephthalic acid, cis-4-tert-butylcyclohexyl hexyl ester
SpectraBase Compound ID KGuaVO26912
InChI InChI=1S/C24H36O4/c1-5-6-7-8-17-27-22(25)18-9-11-19(12-10-18)23(26)28-21-15-13-20(14-16-21)24(2,3)4/h9-12,20-21H,5-8,13-17H2,1-4H3
InChIKey VZAXNOUOQAGGOK-UHFFFAOYSA-N
Mol Weight 388.5 g/mol
Molecular Formula C24H36O4
Exact Mass 388.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5eP1H8f7V5s
Name Terephthalic acid, cis-4-tert-butylcyclohexyl hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 388.261359635 u
Formula C24H36O4
InChI InChI=1S/C24H36O4/c1-5-6-7-8-17-27-22(25)18-9-11-19(12-10-18)23(26)28-21-15-13-20(14-16-21)24(2,3)4/h9-12,20-21H,5-8,13-17H2,1-4H3
InChIKey VZAXNOUOQAGGOK-UHFFFAOYSA-N
Molecular Weight 388.548 g/mol
SMILES CCCCCCOC(C1=CC=C(C(OC2CCC(CC2)C(C)(C)C)=O)C=C1)=O