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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, butyl 3,5-dimethylphenyl ester
SpectraBase Compound ID 2EbIxP6a0Ew
InChI InChI=1S/C20H28O4/c1-4-5-10-23-19(21)17-8-6-7-9-18(17)20(22)24-16-12-14(2)11-15(3)13-16/h11-13,17-18H,4-10H2,1-3H3
InChIKey UHGFTIWGLVXRLE-UHFFFAOYSA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8SUUS22GPFI
Name 1,2-Cyclohexanedicarboxylic acid, butyl 3,5-dimethylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 332.198759378 u
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-4-5-10-23-19(21)17-8-6-7-9-18(17)20(22)24-16-12-14(2)11-15(3)13-16/h11-13,17-18H,4-10H2,1-3H3
InChIKey UHGFTIWGLVXRLE-UHFFFAOYSA-N
Molecular Weight 332.440 g/mol
SMILES C1(=CC(=CC(=C1)C)C)OC(C1CCCCC1C(OCCCC)=O)=O