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1,2-Cyclohexanedicarboxylic acid, 3,5-dimethylcyclohexyl pentadecyl ester

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1,2-Cyclohexanedicarboxylic acid, 3,5-dimethylcyclohexyl pentadecyl ester
SpectraBase Compound ID 3LMZhIQlKC
InChI InChI=1S/C31H56O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-34-30(32)28-19-16-17-20-29(28)31(33)35-27-23-25(2)22-26(3)24-27/h25-29H,4-24H2,1-3H3
InChIKey WTXCPTWDTSMILA-UHFFFAOYSA-N
Mol Weight 492.8 g/mol
Molecular Formula C31H56O4
Exact Mass 492.41786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BKjnF3Oj4FR
Name 1,2-Cyclohexanedicarboxylic acid, 3,5-dimethylcyclohexyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 492.417860279 u
Formula C31H56O4
InChI InChI=1S/C31H56O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-34-30(32)28-19-16-17-20-29(28)31(33)35-27-23-25(2)22-26(3)24-27/h25-29H,4-24H2,1-3H3
InChIKey WTXCPTWDTSMILA-UHFFFAOYSA-N
Molecular Weight 492.785 g/mol
SMILES C1(CC(CC(C1)C)C)OC(C1CCCCC1C(OCCCCCCCCCCCCCCC)=O)=O