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1,2-Cyclohexanedicarboxylic acid, hexadecyl 4-octyl ester
SpectraBase Compound ID DXFzziC6Enf
InChI InChI=1S/C32H60O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-22-27-35-31(33)29-25-20-21-26-30(29)32(34)36-28(23-6-3)24-8-5-2/h28-30H,4-27H2,1-3H3
InChIKey BNTGPKZCEXLQFE-UHFFFAOYSA-N
Mol Weight 508.8 g/mol
Molecular Formula C32H60O4
Exact Mass 508.44916 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DLXGGeRxups
Name 1,2-Cyclohexanedicarboxylic acid, hexadecyl 4-octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 508.449160408 u
Formula C32H60O4
InChI InChI=1S/C32H60O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-22-27-35-31(33)29-25-20-21-26-30(29)32(34)36-28(23-6-3)24-8-5-2/h28-30H,4-27H2,1-3H3
InChIKey BNTGPKZCEXLQFE-UHFFFAOYSA-N
Molecular Weight 508.828 g/mol
SMILES C(CC(OC(C1CCCCC1C(OCCCCCCCCCCCCCCCC)=O)=O)CCCC)C