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1,2-Cyclohexanedicarboxylic acid, 3,4-dimethylphenyl tetradecyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 3,4-dimethylphenyl tetradecyl ester
SpectraBase Compound ID IdB8SdoA0HB
InChI InChI=1S/C30H48O4/c1-4-5-6-7-8-9-10-11-12-13-14-17-22-33-29(31)27-18-15-16-19-28(27)30(32)34-26-21-20-24(2)25(3)23-26/h20-21,23,27-28H,4-19,22H2,1-3H3
InChIKey YCBFDPWWRBGCLF-UHFFFAOYSA-N
Mol Weight 472.7 g/mol
Molecular Formula C30H48O4
Exact Mass 472.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KiIx1BOYPxy
Name 1,2-Cyclohexanedicarboxylic acid, 3,4-dimethylphenyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 472.355260022 u
Formula C30H48O4
InChI InChI=1S/C30H48O4/c1-4-5-6-7-8-9-10-11-12-13-14-17-22-33-29(31)27-18-15-16-19-28(27)30(32)34-26-21-20-24(2)25(3)23-26/h20-21,23,27-28H,4-19,22H2,1-3H3
InChIKey YCBFDPWWRBGCLF-UHFFFAOYSA-N
Molecular Weight 472.710 g/mol
SMILES C1CC(C(CC1)C(=O)OC1=CC(=C(C=C1)C)C)C(OCCCCCCCCCCCCCC)=O