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1,2-Cyclohexanedicarboxylic acid, 5-methoxy-3-methylpentyl nonyl ester

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

1,2-Cyclohexanedicarboxylic acid, 5-methoxy-3-methylpentyl nonyl ester
SpectraBase Compound ID 3txs6NJcAV4
InChI InChI=1S/C24H44O5/c1-4-5-6-7-8-9-12-17-28-23(25)21-13-10-11-14-22(21)24(26)29-19-16-20(2)15-18-27-3/h20-22H,4-19H2,1-3H3
InChIKey DYGUYTBAAFXSKJ-UHFFFAOYSA-N
Mol Weight 412.6 g/mol
Molecular Formula C24H44O5
Exact Mass 412.318875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Tz414CviSz
Name 1,2-Cyclohexanedicarboxylic acid, 5-methoxy-3-methylpentyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 412.318874512 u
Formula C24H44O5
InChI InChI=1S/C24H44O5/c1-4-5-6-7-8-9-12-17-28-23(25)21-13-10-11-14-22(21)24(26)29-19-16-20(2)15-18-27-3/h20-22H,4-19H2,1-3H3
InChIKey DYGUYTBAAFXSKJ-UHFFFAOYSA-N
Molecular Weight 412.611 g/mol
SMILES C(C1CCCCC1C(OCCCCCCCCC)=O)(=O)OCCC(C)CCOC