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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 2,5-dimethylphenyl isohexyl ester
SpectraBase Compound ID 7lCiTV43L7e
InChI InChI=1S/C22H32O4/c1-15(2)8-7-13-25-21(23)18-9-5-6-10-19(18)22(24)26-20-14-16(3)11-12-17(20)4/h11-12,14-15,18-19H,5-10,13H2,1-4H3
InChIKey OYCANJDQPOAVHK-UHFFFAOYSA-N
Mol Weight 360.5 g/mol
Molecular Formula C22H32O4
Exact Mass 360.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4sZd7vYHnzH
Name 1,2-Cyclohexanedicarboxylic acid, 2,5-dimethylphenyl isohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.230059506 u
Formula C22H32O4
InChI InChI=1S/C22H32O4/c1-15(2)8-7-13-25-21(23)18-9-5-6-10-19(18)22(24)26-20-14-16(3)11-12-17(20)4/h11-12,14-15,18-19H,5-10,13H2,1-4H3
InChIKey OYCANJDQPOAVHK-UHFFFAOYSA-N
Molecular Weight 360.494 g/mol
SMILES C1(=CC(=CC=C1C)C)OC(C1CCCCC1C(OCCCC(C)C)=O)=O