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1,2-Cyclohexanedicarboxylic acid, octyl pentafluorobenzyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, octyl pentafluorobenzyl ester
SpectraBase Compound ID UmjMo29l6a
InChI InChI=1S/C23H29F5O4/c1-2-3-4-5-6-9-12-31-22(29)14-10-7-8-11-15(14)23(30)32-13-16-17(24)19(26)21(28)20(27)18(16)25/h14-15H,2-13H2,1H3
InChIKey LTGVCBUZBCGJPT-UHFFFAOYSA-N
Mol Weight 464.47 g/mol
Molecular Formula C23H29F5O4
Exact Mass 464.1986 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID O6eyupBuZt
Name 1,2-Cyclohexanedicarboxylic acid, octyl pentafluorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 464.198600225 u
Formula C23H29F5O4
InChI InChI=1S/C23H29F5O4/c1-2-3-4-5-6-9-12-31-22(29)14-10-7-8-11-15(14)23(30)32-13-16-17(24)19(26)21(28)20(27)18(16)25/h14-15H,2-13H2,1H3
InChIKey LTGVCBUZBCGJPT-UHFFFAOYSA-N
Molecular Weight 464.473 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)F)F)COC(C1CCCCC1C(=O)OCCCCCCCC)=O)F