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1,2-Cyclohexanedicarboxylic acid, isobutyl octadecyl ester

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

1,2-Cyclohexanedicarboxylic acid, isobutyl octadecyl ester
SpectraBase Compound ID EOROTS1INrc
InChI InChI=1S/C30H56O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-33-29(31)27-22-19-20-23-28(27)30(32)34-25-26(2)3/h26-28H,4-25H2,1-3H3
InChIKey GQOBGYRNIKOTCX-UHFFFAOYSA-N
Mol Weight 480.8 g/mol
Molecular Formula C30H56O4
Exact Mass 480.41786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Au1niTyVBEk
Name 1,2-Cyclohexanedicarboxylic acid, isobutyl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 480.417860279 u
Formula C30H56O4
InChI InChI=1S/C30H56O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-33-29(31)27-22-19-20-23-28(27)30(32)34-25-26(2)3/h26-28H,4-25H2,1-3H3
InChIKey GQOBGYRNIKOTCX-UHFFFAOYSA-N
Molecular Weight 480.774 g/mol
SMILES C(C1CCCCC1C(OCCCCCCCCCCCCCCCCCC)=O)(=O)OCC(C)C