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1,2-Cyclohexanedicarboxylic acid, heptadecyl 2-methylcyclohexyl ester

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

1,2-Cyclohexanedicarboxylic acid, heptadecyl 2-methylcyclohexyl ester
SpectraBase Compound ID K6Gfz4ogYpw
InChI InChI=1S/C32H58O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26-35-31(33)28-23-18-19-24-29(28)32(34)36-30-25-20-17-22-27(30)2/h27-30H,3-26H2,1-2H3
InChIKey IGDXQEFYAZCORF-UHFFFAOYSA-N
Mol Weight 506.8 g/mol
Molecular Formula C32H58O4
Exact Mass 506.43351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CKNMphF4eUD
Name 1,2-Cyclohexanedicarboxylic acid, heptadecyl 2-methylcyclohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 506.433510344 u
Formula C32H58O4
InChI InChI=1S/C32H58O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26-35-31(33)28-23-18-19-24-29(28)32(34)36-30-25-20-17-22-27(30)2/h27-30H,3-26H2,1-2H3
InChIKey IGDXQEFYAZCORF-UHFFFAOYSA-N
Molecular Weight 506.812 g/mol
SMILES C1(C(CCCC1)C)OC(C1CCCCC1C(OCCCCCCCCCCCCCCCCC)=O)=O