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1,2-Cyclohexanedicarboxylic acid, butyl 4-isopropylphenyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, butyl 4-isopropylphenyl ester
SpectraBase Compound ID Gl3mBrxxbOU
InChI InChI=1S/C21H30O4/c1-4-5-14-24-20(22)18-8-6-7-9-19(18)21(23)25-17-12-10-16(11-13-17)15(2)3/h10-13,15,18-19H,4-9,14H2,1-3H3
InChIKey YBUUJHDIADWXAU-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 E4k6lzY44X1
Name 1,2-Cyclohexanedicarboxylic acid, butyl 4-isopropylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 346.214409442 u
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-4-5-14-24-20(22)18-8-6-7-9-19(18)21(23)25-17-12-10-16(11-13-17)15(2)3/h10-13,15,18-19H,4-9,14H2,1-3H3
InChIKey YBUUJHDIADWXAU-UHFFFAOYSA-N
Molecular Weight 346.467 g/mol
SMILES CCCCOC(C1C(C(=O)OC2=CC=C(C=C2)C(C)C)CCCC1)=O