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1,2-Cyclohexanedicarboxylic acid, dodecyl 3-methylphenyl ester

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1,2-Cyclohexanedicarboxylic acid, dodecyl 3-methylphenyl ester
SpectraBase Compound ID JnOjx0EOQ1f
InChI InChI=1S/C27H42O4/c1-3-4-5-6-7-8-9-10-11-14-20-30-26(28)24-18-12-13-19-25(24)27(29)31-23-17-15-16-22(2)21-23/h15-17,21,24-25H,3-14,18-20H2,1-2H3
InChIKey PTDNNQMIUOANCB-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 1et5JRMBnRw
Name 1,2-Cyclohexanedicarboxylic acid, dodecyl 3-methylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 430.308309828 u
Formula C27H42O4
InChI InChI=1S/C27H42O4/c1-3-4-5-6-7-8-9-10-11-14-20-30-26(28)24-18-12-13-19-25(24)27(29)31-23-17-15-16-22(2)21-23/h15-17,21,24-25H,3-14,18-20H2,1-2H3
InChIKey PTDNNQMIUOANCB-UHFFFAOYSA-N
Molecular Weight 430.629 g/mol
SMILES C1(=CC(=CC=C1)C)OC(C1CCCCC1C(OCCCCCCCCCCCC)=O)=O