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1,2-Cyclohexanedicarboxylic acid, butyl 2,5-dimethylphenyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, butyl 2,5-dimethylphenyl ester
SpectraBase Compound ID 50sSqW0kyRI
InChI InChI=1S/C20H28O4/c1-4-5-12-23-19(21)16-8-6-7-9-17(16)20(22)24-18-13-14(2)10-11-15(18)3/h10-11,13,16-17H,4-9,12H2,1-3H3
InChIKey ITNWHOJPWLAFLF-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 JOWUb5GbvyP
Name 1,2-Cyclohexanedicarboxylic acid, butyl 2,5-dimethylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.198759378 u
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-4-5-12-23-19(21)16-8-6-7-9-17(16)20(22)24-18-13-14(2)10-11-15(18)3/h10-11,13,16-17H,4-9,12H2,1-3H3
InChIKey ITNWHOJPWLAFLF-UHFFFAOYSA-N
Molecular Weight 332.440 g/mol
SMILES C1(=CC(=CC=C1C)C)OC(C1CCCCC1C(OCCCC)=O)=O