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1,2-Cyclohexanedicarboxylic acid, butyl pentafluorobenzyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, butyl pentafluorobenzyl ester
SpectraBase Compound ID 4Yxv5zLkbJ
InChI InChI=1S/C19H21F5O4/c1-2-3-8-27-18(25)10-6-4-5-7-11(10)19(26)28-9-12-13(20)15(22)17(24)16(23)14(12)21/h10-11H,2-9H2,1H3
InChIKey SAFSWIVVEOKMEF-UHFFFAOYSA-N
Mol Weight 408.37 g/mol
Molecular Formula C19H21F5O4
Exact Mass 408.136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BRIJylShQ9Z
Name 1,2-Cyclohexanedicarboxylic acid, butyl pentafluorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 408.135999967 u
Formula C19H21F5O4
InChI InChI=1S/C19H21F5O4/c1-2-3-8-27-18(25)10-6-4-5-7-11(10)19(26)28-9-12-13(20)15(22)17(24)16(23)14(12)21/h10-11H,2-9H2,1H3
InChIKey SAFSWIVVEOKMEF-UHFFFAOYSA-N
Molecular Weight 408.365 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)F)F)COC(=O)C1C(CCCC1)C(OCCCC)=O)F