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1,2-Cyclohexanedicarboxylic acid, hexadecyl hexyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, hexadecyl hexyl ester
SpectraBase Compound ID 4ZscZELGvYp
InChI InChI=1S/C30H56O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-22-26-34-30(32)28-24-20-19-23-27(28)29(31)33-25-21-8-6-4-2/h27-28H,3-26H2,1-2H3
InChIKey DPLGYHXGAXAIGT-UHFFFAOYSA-N
Mol Weight 480.8 g/mol
Molecular Formula C30H56O4
Exact Mass 480.41786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 99yK0gYr6Ly
Name 1,2-Cyclohexanedicarboxylic acid, hexadecyl hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 480.417860279 u
Formula C30H56O4
InChI InChI=1S/C30H56O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-22-26-34-30(32)28-24-20-19-23-27(28)29(31)33-25-21-8-6-4-2/h27-28H,3-26H2,1-2H3
InChIKey DPLGYHXGAXAIGT-UHFFFAOYSA-N
Molecular Weight 480.774 g/mol
SMILES CCCCCCCCCCCCCCCCOC(C1C(C(=O)OCCCCCC)CCCC1)=O