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1,2-Cyclohexanedicarboxylic acid, cyclohexyl undecyl ester

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1,2-Cyclohexanedicarboxylic acid, cyclohexyl undecyl ester
SpectraBase Compound ID JNWJd2nJHC9
InChI InChI=1S/C25H44O4/c1-2-3-4-5-6-7-8-9-15-20-28-24(26)22-18-13-14-19-23(22)25(27)29-21-16-11-10-12-17-21/h21-23H,2-20H2,1H3
InChIKey HMLMOHNYCAVDPR-UHFFFAOYSA-N
Mol Weight 408.6 g/mol
Molecular Formula C25H44O4
Exact Mass 408.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ToXoOruDhj
Name 1,2-Cyclohexanedicarboxylic acid, cyclohexyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 408.323959893 u
Formula C25H44O4
InChI InChI=1S/C25H44O4/c1-2-3-4-5-6-7-8-9-15-20-28-24(26)22-18-13-14-19-23(22)25(27)29-21-16-11-10-12-17-21/h21-23H,2-20H2,1H3
InChIKey HMLMOHNYCAVDPR-UHFFFAOYSA-N
Molecular Weight 408.623 g/mol
SMILES C(C1CCCCC1C(OCCCCCCCCCCC)=O)(=O)OC1CCCCC1