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1,2-Cyclohexanedicarboxylic acid, decyl 3,5-dimethylphenyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, decyl 3,5-dimethylphenyl ester
SpectraBase Compound ID DtB2qEHf8I7
InChI InChI=1S/C26H40O4/c1-4-5-6-7-8-9-10-13-16-29-25(27)23-14-11-12-15-24(23)26(28)30-22-18-20(2)17-21(3)19-22/h17-19,23-24H,4-16H2,1-3H3
InChIKey LEZCGOSBLSEKGG-UHFFFAOYSA-N
Mol Weight 416.6 g/mol
Molecular Formula C26H40O4
Exact Mass 416.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7EdMSjoCON0
Name 1,2-Cyclohexanedicarboxylic acid, decyl 3,5-dimethylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 416.292659764 u
Formula C26H40O4
InChI InChI=1S/C26H40O4/c1-4-5-6-7-8-9-10-13-16-29-25(27)23-14-11-12-15-24(23)26(28)30-22-18-20(2)17-21(3)19-22/h17-19,23-24H,4-16H2,1-3H3
InChIKey LEZCGOSBLSEKGG-UHFFFAOYSA-N
Molecular Weight 416.602 g/mol
SMILES C1(=CC(=CC(=C1)C)C)OC(C1CCCCC1C(OCCCCCCCCCC)=O)=O