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1,2-Cyclohexanedicarboxylic acid, 3,4-dimethylphenyl propyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 3,4-dimethylphenyl propyl ester
SpectraBase Compound ID A2Ec8fDQEji
InChI InChI=1S/C19H26O4/c1-4-11-22-18(20)16-7-5-6-8-17(16)19(21)23-15-10-9-13(2)14(3)12-15/h9-10,12,16-17H,4-8,11H2,1-3H3
InChIKey OTGZJSQRJHFFGS-UHFFFAOYSA-N
Mol Weight 318.41 g/mol
Molecular Formula C19H26O4
Exact Mass 318.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Ebuf75P4ph
Name 1,2-Cyclohexanedicarboxylic acid, 3,4-dimethylphenyl propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 318.183109313 u
Formula C19H26O4
InChI InChI=1S/C19H26O4/c1-4-11-22-18(20)16-7-5-6-8-17(16)19(21)23-15-10-9-13(2)14(3)12-15/h9-10,12,16-17H,4-8,11H2,1-3H3
InChIKey OTGZJSQRJHFFGS-UHFFFAOYSA-N
Molecular Weight 318.413 g/mol
SMILES C1(CCCCC1C(=O)OC1=CC(=C(C)C=C1)C)C(OCCC)=O