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Isophthalic acid, nonyl 4-tert-butylcyclohexyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, nonyl 4-tert-butylcyclohexyl ester
SpectraBase Compound ID 69GJnKYhfi1
InChI InChI=1S/C27H42O4/c1-5-6-7-8-9-10-11-19-30-25(28)21-13-12-14-22(20-21)26(29)31-24-17-15-23(16-18-24)27(2,3)4/h12-14,20,23-24H,5-11,15-19H2,1-4H3
InChIKey SHJCJMZDTBDSCM-UHFFFAOYSA-N
Mol Weight 430.6 g/mol
Molecular Formula C27H42O4
Exact Mass 430.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CEuJVFgwAme
Name Isophthalic acid, nonyl 4-tert-butylcyclohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 430.308309828 u
Formula C27H42O4
InChI InChI=1S/C27H42O4/c1-5-6-7-8-9-10-11-19-30-25(28)21-13-12-14-22(20-21)26(29)31-24-17-15-23(16-18-24)27(2,3)4/h12-14,20,23-24H,5-11,15-19H2,1-4H3
InChIKey SHJCJMZDTBDSCM-UHFFFAOYSA-N
Molecular Weight 430.629 g/mol
SMILES CC(C1CCC(CC1)OC(C1=CC(=CC=C1)C(OCCCCCCCCC)=O)=O)(C)C