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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 3,5-dimethylphenyl hexyl ester
SpectraBase Compound ID 4ZYwHS2TjkN
InChI InChI=1S/C22H32O4/c1-4-5-6-9-12-25-21(23)19-10-7-8-11-20(19)22(24)26-18-14-16(2)13-17(3)15-18/h13-15,19-20H,4-12H2,1-3H3
InChIKey NMMOYWHHQOWBCG-UHFFFAOYSA-N
Mol Weight 360.5 g/mol
Molecular Formula C22H32O4
Exact Mass 360.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 24X1jeOtrv5
Name 1,2-Cyclohexanedicarboxylic acid, 3,5-dimethylphenyl hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 360.230059506 u
Formula C22H32O4
InChI InChI=1S/C22H32O4/c1-4-5-6-9-12-25-21(23)19-10-7-8-11-20(19)22(24)26-18-14-16(2)13-17(3)15-18/h13-15,19-20H,4-12H2,1-3H3
InChIKey NMMOYWHHQOWBCG-UHFFFAOYSA-N
Molecular Weight 360.494 g/mol
SMILES C1(=CC(=CC(=C1)C)C)OC(C1CCCCC1C(OCCCCCC)=O)=O