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1,2-Cyclohexanedicarboxylic acid, 3,5-dimethylphenyl undecyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 3,5-dimethylphenyl undecyl ester
SpectraBase Compound ID BzK0eHNH2pL
InChI InChI=1S/C27H42O4/c1-4-5-6-7-8-9-10-11-14-17-30-26(28)24-15-12-13-16-25(24)27(29)31-23-19-21(2)18-22(3)20-23/h18-20,24-25H,4-17H2,1-3H3
InChIKey OOBOGMWQKQBIMH-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 HAqklXmC7j5
Name 1,2-Cyclohexanedicarboxylic acid, 3,5-dimethylphenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 430.308309828 u
Formula C27H42O4
InChI InChI=1S/C27H42O4/c1-4-5-6-7-8-9-10-11-14-17-30-26(28)24-15-12-13-16-25(24)27(29)31-23-19-21(2)18-22(3)20-23/h18-20,24-25H,4-17H2,1-3H3
InChIKey OOBOGMWQKQBIMH-UHFFFAOYSA-N
Molecular Weight 430.629 g/mol
SMILES C1(=CC(=CC(=C1)C)C)OC(C1CCCCC1C(OCCCCCCCCCCC)=O)=O