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1,2-Cyclohexanedicarboxylic acid, pentafluorobenzyl pentyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, pentafluorobenzyl pentyl ester
SpectraBase Compound ID 3Y0t9nLYmAT
InChI InChI=1S/C20H23F5O4/c1-2-3-6-9-28-19(26)11-7-4-5-8-12(11)20(27)29-10-13-14(21)16(23)18(25)17(24)15(13)22/h11-12H,2-10H2,1H3
InChIKey SFBSWRBZRZXGIN-UHFFFAOYSA-N
Mol Weight 422.39 g/mol
Molecular Formula C20H23F5O4
Exact Mass 422.15165 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HwQtT1Th87E
Name 1,2-Cyclohexanedicarboxylic acid, pentafluorobenzyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 422.151650032 u
Formula C20H23F5O4
InChI InChI=1S/C20H23F5O4/c1-2-3-6-9-28-19(26)11-7-4-5-8-12(11)20(27)29-10-13-14(21)16(23)18(25)17(24)15(13)22/h11-12H,2-10H2,1H3
InChIKey SFBSWRBZRZXGIN-UHFFFAOYSA-N
Molecular Weight 422.392 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)F)F)COC(C1C(CCCC1)C(OCCCCC)=O)=O)F