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1,2-Cyclohexanedicarboxylic acid, isobutyl 3-methylphenyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, isobutyl 3-methylphenyl ester
SpectraBase Compound ID haKdvj8Rpm
InChI InChI=1S/C19H26O4/c1-13(2)12-22-18(20)16-9-4-5-10-17(16)19(21)23-15-8-6-7-14(3)11-15/h6-8,11,13,16-17H,4-5,9-10,12H2,1-3H3
InChIKey GURBRHLBHWXHDO-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 GzI7xA0WeKc
Name 1,2-Cyclohexanedicarboxylic acid, isobutyl 3-methylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 318.183109313 u
Formula C19H26O4
InChI InChI=1S/C19H26O4/c1-13(2)12-22-18(20)16-9-4-5-10-17(16)19(21)23-15-8-6-7-14(3)11-15/h6-8,11,13,16-17H,4-5,9-10,12H2,1-3H3
InChIKey GURBRHLBHWXHDO-UHFFFAOYSA-N
Molecular Weight 318.413 g/mol
SMILES C1(=CC(=CC=C1)C)OC(C1CCCCC1C(OCC(C)C)=O)=O