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

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

1,2-Cyclohexanedicarboxylic acid, 3-methylbut-2-yl octadecyl ester
SpectraBase Compound ID C3atWo5IARe
InChI InChI=1S/C31H58O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-34-30(32)28-23-20-21-24-29(28)31(33)35-27(4)26(2)3/h26-29H,5-25H2,1-4H3
InChIKey GSTYJNGWJWKTLP-UHFFFAOYSA-N
Mol Weight 494.8 g/mol
Molecular Formula C31H58O4
Exact Mass 494.43351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5CxuadbtTWE
Name 1,2-Cyclohexanedicarboxylic acid, 3-methylbut-2-yl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 494.433510344 u
Formula C31H58O4
InChI InChI=1S/C31H58O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-34-30(32)28-23-20-21-24-29(28)31(33)35-27(4)26(2)3/h26-29H,5-25H2,1-4H3
InChIKey GSTYJNGWJWKTLP-UHFFFAOYSA-N
Molecular Weight 494.801 g/mol
SMILES C1CCCC(C1C(OCCCCCCCCCCCCCCCCCC)=O)C(=O)OC(C(C)C)C