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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 3,4-dimethylphenyl pentyl ester
SpectraBase Compound ID dbqseErtg8
InChI InChI=1S/C21H30O4/c1-4-5-8-13-24-20(22)18-9-6-7-10-19(18)21(23)25-17-12-11-15(2)16(3)14-17/h11-12,14,18-19H,4-10,13H2,1-3H3
InChIKey JOMLKIVPTHIBPQ-UHFFFAOYSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DxMucwD7llN
Name 1,2-Cyclohexanedicarboxylic acid, 3,4-dimethylphenyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 346.214409442 u
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-4-5-8-13-24-20(22)18-9-6-7-10-19(18)21(23)25-17-12-11-15(2)16(3)14-17/h11-12,14,18-19H,4-10,13H2,1-3H3
InChIKey JOMLKIVPTHIBPQ-UHFFFAOYSA-N
Molecular Weight 346.467 g/mol
SMILES C1CC(C(CC1)C(=O)OC1=CC(=C(C=C1)C)C)C(OCCCCC)=O