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1,2-Cyclohexanedicarboxylic acid, hexyl pentafluorobenzyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, hexyl pentafluorobenzyl ester
SpectraBase Compound ID JkGAoHIwcTP
InChI InChI=1S/C21H25F5O4/c1-2-3-4-7-10-29-20(27)12-8-5-6-9-13(12)21(28)30-11-14-15(22)17(24)19(26)18(25)16(14)23/h12-13H,2-11H2,1H3
InChIKey RIQDDLPINIGHDM-UHFFFAOYSA-N
Mol Weight 436.42 g/mol
Molecular Formula C21H25F5O4
Exact Mass 436.1673 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CdtnR1tJgCE
Name 1,2-Cyclohexanedicarboxylic acid, hexyl pentafluorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 436.167300096 u
Formula C21H25F5O4
InChI InChI=1S/C21H25F5O4/c1-2-3-4-7-10-29-20(27)12-8-5-6-9-13(12)21(28)30-11-14-15(22)17(24)19(26)18(25)16(14)23/h12-13H,2-11H2,1H3
InChIKey RIQDDLPINIGHDM-UHFFFAOYSA-N
Molecular Weight 436.419 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)F)F)COC(C1CCCCC1C(OCCCCCC)=O)=O)F