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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 3-methylphenyl nonyl ester
SpectraBase Compound ID ICBGgMacB2G
InChI InChI=1S/C24H36O4/c1-3-4-5-6-7-8-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-20-14-12-13-19(2)18-20/h12-14,18,21-22H,3-11,15-17H2,1-2H3
InChIKey KIIJHWFOFLSFJI-UHFFFAOYSA-N
Mol Weight 388.5 g/mol
Molecular Formula C24H36O4
Exact Mass 388.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Q7jegct3xo
Name 1,2-Cyclohexanedicarboxylic acid, 3-methylphenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 388.261359635 u
Formula C24H36O4
InChI InChI=1S/C24H36O4/c1-3-4-5-6-7-8-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-20-14-12-13-19(2)18-20/h12-14,18,21-22H,3-11,15-17H2,1-2H3
InChIKey KIIJHWFOFLSFJI-UHFFFAOYSA-N
Molecular Weight 388.548 g/mol
SMILES C1(=CC(=CC=C1)C)OC(C1CCCCC1C(OCCCCCCCCC)=O)=O