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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, butyl 3-methylphenyl ester
SpectraBase Compound ID 1gomXpHpYtA
InChI InChI=1S/C19H26O4/c1-3-4-12-22-18(20)16-10-5-6-11-17(16)19(21)23-15-9-7-8-14(2)13-15/h7-9,13,16-17H,3-6,10-12H2,1-2H3
InChIKey NAGMLVKRIOMGDD-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 AcAf1CZipsg
Name 1,2-Cyclohexanedicarboxylic acid, butyl 3-methylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 318.183109313 u
Formula C19H26O4
InChI InChI=1S/C19H26O4/c1-3-4-12-22-18(20)16-10-5-6-11-17(16)19(21)23-15-9-7-8-14(2)13-15/h7-9,13,16-17H,3-6,10-12H2,1-2H3
InChIKey NAGMLVKRIOMGDD-UHFFFAOYSA-N
Molecular Weight 318.413 g/mol
SMILES C1(=CC(=CC=C1)C)OC(C1CCCCC1C(OCCCC)=O)=O