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1,2-Cyclohexanedicarboxylic acid, 2-methylpent-3-yl octadecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

1,2-Cyclohexanedicarboxylic acid, 2-methylpent-3-yl octadecyl ester
SpectraBase Compound ID BAsn6l55qiC
InChI InChI=1S/C32H60O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-35-31(33)28-24-21-22-25-29(28)32(34)36-30(6-2)27(3)4/h27-30H,5-26H2,1-4H3
InChIKey DZCLNEKLTHOLGB-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 IQLBpIkiFSt
Name 1,2-Cyclohexanedicarboxylic acid, 2-methylpent-3-yl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 508.449160408 u
Formula C32H60O4
InChI InChI=1S/C32H60O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-35-31(33)28-24-21-22-25-29(28)32(34)36-30(6-2)27(3)4/h27-30H,5-26H2,1-4H3
InChIKey DZCLNEKLTHOLGB-UHFFFAOYSA-N
Molecular Weight 508.828 g/mol
SMILES C(C1CCCCC1C(OCCCCCCCCCCCCCCCCCC)=O)(=O)OC(C(C)C)CC