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

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

1,2-Cyclohexanedicarboxylic acid, 2-methylcyclohexyl pentadecyl ester
SpectraBase Compound ID 1l5GYb2iI0w
InChI InChI=1S/C30H54O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-24-33-29(31)26-21-16-17-22-27(26)30(32)34-28-23-18-15-20-25(28)2/h25-28H,3-24H2,1-2H3
InChIKey SSPGLHMSECSKSB-UHFFFAOYSA-N
Mol Weight 478.8 g/mol
Molecular Formula C30H54O4
Exact Mass 478.40221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 21saR5scc7L
Name 1,2-Cyclohexanedicarboxylic acid, 2-methylcyclohexyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 478.402210215 u
Formula C30H54O4
InChI InChI=1S/C30H54O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-24-33-29(31)26-21-16-17-22-27(26)30(32)34-28-23-18-15-20-25(28)2/h25-28H,3-24H2,1-2H3
InChIKey SSPGLHMSECSKSB-UHFFFAOYSA-N
Molecular Weight 478.758 g/mol
SMILES C1(C(CCCC1)C)OC(C1CCCCC1C(OCCCCCCCCCCCCCCC)=O)=O