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Terephthalic acid, di(cis-4-tert-butylcyclohexyl) ester

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

Terephthalic acid, di(cis-4-tert-butylcyclohexyl) ester
SpectraBase Compound ID IIrYOMr7Z8z
InChI InChI=1S/C28H42O4/c1-27(2,3)21-11-15-23(16-12-21)31-25(29)19-7-9-20(10-8-19)26(30)32-24-17-13-22(14-18-24)28(4,5)6/h7-10,21-24H,11-18H2,1-6H3
InChIKey ACBMKGYMRUITDS-UHFFFAOYSA-N
Mol Weight 442.6 g/mol
Molecular Formula C28H42O4
Exact Mass 442.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 31UDdrEI0oF
Name Terephthalic acid, di(cis-4-tert-butylcyclohexyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 442.308309828 u
Formula C28H42O4
InChI InChI=1S/C28H42O4/c1-27(2,3)21-11-15-23(16-12-21)31-25(29)19-7-9-20(10-8-19)26(30)32-24-17-13-22(14-18-24)28(4,5)6/h7-10,21-24H,11-18H2,1-6H3
InChIKey ACBMKGYMRUITDS-UHFFFAOYSA-N
Molecular Weight 442.640 g/mol
SMILES C(OC1CCC(CC1)C(C)(C)C)(=O)C1=CC=C(C=C1)C(=O)OC1CCC(C(C)(C)C)CC1