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1,2-Cyclohexanedicarboxylic acid, 2-methylpent-3-yl nonyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

1,2-Cyclohexanedicarboxylic acid, 2-methylpent-3-yl nonyl ester
SpectraBase Compound ID G0s1DEWltYc
InChI InChI=1S/C23H42O4/c1-5-7-8-9-10-11-14-17-26-22(24)19-15-12-13-16-20(19)23(25)27-21(6-2)18(3)4/h18-21H,5-17H2,1-4H3
InChIKey LQMSDKIOQPKZRS-UHFFFAOYSA-N
Mol Weight 382.6 g/mol
Molecular Formula C23H42O4
Exact Mass 382.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Xg0BH8NRKQ
Name 1,2-Cyclohexanedicarboxylic acid, 2-methylpent-3-yl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.308309828 u
Formula C23H42O4
InChI InChI=1S/C23H42O4/c1-5-7-8-9-10-11-14-17-26-22(24)19-15-12-13-16-20(19)23(25)27-21(6-2)18(3)4/h18-21H,5-17H2,1-4H3
InChIKey LQMSDKIOQPKZRS-UHFFFAOYSA-N
Molecular Weight 382.585 g/mol
SMILES C(C1CCCCC1C(OCCCCCCCCC)=O)(=O)OC(C(C)C)CC