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

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1,2-Cyclohexanedicarboxylic acid, 2,5-dimethylphenyl undecyl ester
SpectraBase Compound ID C91RMX5uxqL
InChI InChI=1S/C27H42O4/c1-4-5-6-7-8-9-10-11-14-19-30-26(28)23-15-12-13-16-24(23)27(29)31-25-20-21(2)17-18-22(25)3/h17-18,20,23-24H,4-16,19H2,1-3H3
InChIKey JLANXFOTXGAIKU-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 1DhVC9qCLjT
Name 1,2-Cyclohexanedicarboxylic acid, 2,5-dimethylphenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 430.308309828 u
Formula C27H42O4
InChI InChI=1S/C27H42O4/c1-4-5-6-7-8-9-10-11-14-19-30-26(28)23-15-12-13-16-24(23)27(29)31-25-20-21(2)17-18-22(25)3/h17-18,20,23-24H,4-16,19H2,1-3H3
InChIKey JLANXFOTXGAIKU-UHFFFAOYSA-N
Molecular Weight 430.629 g/mol
SMILES C1=C(C(=CC=C1C)C)OC(C1CCCCC1C(OCCCCCCCCCCC)=O)=O