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1,2-Cyclohexanedicarboxylic acid, isobutyl 2-isopropylphenyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, isobutyl 2-isopropylphenyl ester
SpectraBase Compound ID K1NnceXRQzV
InChI InChI=1S/C21H30O4/c1-14(2)13-24-20(22)17-10-5-6-11-18(17)21(23)25-19-12-8-7-9-16(19)15(3)4/h7-9,12,14-15,17-18H,5-6,10-11,13H2,1-4H3
InChIKey ZNBBEVRBWHGRPU-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 IFI5wMkB7eW
Name 1,2-Cyclohexanedicarboxylic acid, isobutyl 2-isopropylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 346.214409442 u
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-14(2)13-24-20(22)17-10-5-6-11-18(17)21(23)25-19-12-8-7-9-16(19)15(3)4/h7-9,12,14-15,17-18H,5-6,10-11,13H2,1-4H3
InChIKey ZNBBEVRBWHGRPU-UHFFFAOYSA-N
Molecular Weight 346.467 g/mol
SMILES C1CC(C(CC1)C(=O)OC1=C(C=CC=C1)C(C)C)C(OCC(C)C)=O