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1,2-Cyclohexanedicarboxylic acid, nonyl pentafluorobenzyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, nonyl pentafluorobenzyl ester
SpectraBase Compound ID 27Ea2FwhSD
InChI InChI=1S/C24H31F5O4/c1-2-3-4-5-6-7-10-13-32-23(30)15-11-8-9-12-16(15)24(31)33-14-17-18(25)20(27)22(29)21(28)19(17)26/h15-16H,2-14H2,1H3
InChIKey SEMOGNQNAXRGMB-UHFFFAOYSA-N
Mol Weight 478.5 g/mol
Molecular Formula C24H31F5O4
Exact Mass 478.21425 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CPAATETfq1v
Name 1,2-Cyclohexanedicarboxylic acid, nonyl pentafluorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 478.214250289 u
Formula C24H31F5O4
InChI InChI=1S/C24H31F5O4/c1-2-3-4-5-6-7-10-13-32-23(30)15-11-8-9-12-16(15)24(31)33-14-17-18(25)20(27)22(29)21(28)19(17)26/h15-16H,2-14H2,1H3
InChIKey SEMOGNQNAXRGMB-UHFFFAOYSA-N
Molecular Weight 478.500 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)F)F)COC(C1CCCCC1C(OCCCCCCCCC)=O)=O)F