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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 2,5-dimethylphenyl propyl ester
SpectraBase Compound ID 6QBu0H3jlsW
InChI InChI=1S/C19H26O4/c1-4-11-22-18(20)15-7-5-6-8-16(15)19(21)23-17-12-13(2)9-10-14(17)3/h9-10,12,15-16H,4-8,11H2,1-3H3
InChIKey ZRLVLOXNFAFYJC-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 8grMdItB1Cm
Name 1,2-Cyclohexanedicarboxylic acid, 2,5-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)15-7-5-6-8-16(15)19(21)23-17-12-13(2)9-10-14(17)3/h9-10,12,15-16H,4-8,11H2,1-3H3
InChIKey ZRLVLOXNFAFYJC-UHFFFAOYSA-N
Molecular Weight 318.413 g/mol
SMILES C1(=C(C=C(C=C1)C)OC(C1CCCCC1C(=O)OCCC)=O)C