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1,2-Cyclohexanedicarboxylic acid, cyclohexylmethyl nonyl ester

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1,2-Cyclohexanedicarboxylic acid, cyclohexylmethyl nonyl ester
SpectraBase Compound ID IIiRkfFGG11
InChI InChI=1S/C24H42O4/c1-2-3-4-5-6-7-13-18-27-23(25)21-16-11-12-17-22(21)24(26)28-19-20-14-9-8-10-15-20/h20-22H,2-19H2,1H3
InChIKey UXPSBBXEVRMWFI-UHFFFAOYSA-N
Mol Weight 394.6 g/mol
Molecular Formula C24H42O4
Exact Mass 394.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LXH61BEKk28
Name 1,2-Cyclohexanedicarboxylic acid, cyclohexylmethyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 394.308309828 u
Formula C24H42O4
InChI InChI=1S/C24H42O4/c1-2-3-4-5-6-7-13-18-27-23(25)21-16-11-12-17-22(21)24(26)28-19-20-14-9-8-10-15-20/h20-22H,2-19H2,1H3
InChIKey UXPSBBXEVRMWFI-UHFFFAOYSA-N
Molecular Weight 394.596 g/mol
SMILES C(OC(C1CCCCC1C(OCCCCCCCCC)=O)=O)C1CCCCC1