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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 2-isopropylphenyl propyl ester
SpectraBase Compound ID BbYC7m79NWQ
InChI InChI=1S/C20H28O4/c1-4-13-23-19(21)16-10-5-6-11-17(16)20(22)24-18-12-8-7-9-15(18)14(2)3/h7-9,12,14,16-17H,4-6,10-11,13H2,1-3H3
InChIKey KSOXNPOWIOQOJP-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 veMnGDqHaD
Name 1,2-Cyclohexanedicarboxylic acid, 2-isopropylphenyl propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 332.198759378 u
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-4-13-23-19(21)16-10-5-6-11-17(16)20(22)24-18-12-8-7-9-15(18)14(2)3/h7-9,12,14,16-17H,4-6,10-11,13H2,1-3H3
InChIKey KSOXNPOWIOQOJP-UHFFFAOYSA-N
Molecular Weight 332.440 g/mol
SMILES C1CC(C(CC1)C(=O)OC1=CC=CC=C1C(C)C)C(OCCC)=O