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1,2-Cyclohexanedicarboxylic acid, 3-methylphenyl pentyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 3-methylphenyl pentyl ester
SpectraBase Compound ID CJ6Y3zizwRa
InChI InChI=1S/C20H28O4/c1-3-4-7-13-23-19(21)17-11-5-6-12-18(17)20(22)24-16-10-8-9-15(2)14-16/h8-10,14,17-18H,3-7,11-13H2,1-2H3
InChIKey CUROEOYOEUTLPP-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 5bXUeXFgOLj
Name 1,2-Cyclohexanedicarboxylic acid, 3-methylphenyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 332.198759378 u
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-3-4-7-13-23-19(21)17-11-5-6-12-18(17)20(22)24-16-10-8-9-15(2)14-16/h8-10,14,17-18H,3-7,11-13H2,1-2H3
InChIKey CUROEOYOEUTLPP-UHFFFAOYSA-N
Molecular Weight 332.440 g/mol
SMILES C1(=CC(=CC=C1)C)OC(C1CCCCC1C(OCCCCC)=O)=O