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1,2-Cyclohexanedicarboxylic acid, hexyl 4-methoxyphenyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, hexyl 4-methoxyphenyl ester
SpectraBase Compound ID Ho7zv5v01Zd
InChI InChI=1S/C21H30O5/c1-3-4-5-8-15-25-20(22)18-9-6-7-10-19(18)21(23)26-17-13-11-16(24-2)12-14-17/h11-14,18-19H,3-10,15H2,1-2H3
InChIKey WVKDJCQEQDGWPJ-UHFFFAOYSA-N
Mol Weight 362.47 g/mol
Molecular Formula C21H30O5
Exact Mass 362.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AAV7NteRu58
Name 1,2-Cyclohexanedicarboxylic acid, hexyl 4-methoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 362.209324061 u
Formula C21H30O5
InChI InChI=1S/C21H30O5/c1-3-4-5-8-15-25-20(22)18-9-6-7-10-19(18)21(23)26-17-13-11-16(24-2)12-14-17/h11-14,18-19H,3-10,15H2,1-2H3
InChIKey WVKDJCQEQDGWPJ-UHFFFAOYSA-N
Molecular Weight 362.466 g/mol
SMILES C1CC(C(CC1)C(=O)OC1=CC=C(C=C1)OC)C(OCCCCCC)=O