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1,2-Cyclohexanedicarboxylic acid, ethyl pentafluorobenzyl ester

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1,2-Cyclohexanedicarboxylic acid, ethyl pentafluorobenzyl ester
SpectraBase Compound ID 5014Qe0gLDC
InChI InChI=1S/C17H17F5O4/c1-2-25-16(23)8-5-3-4-6-9(8)17(24)26-7-10-11(18)13(20)15(22)14(21)12(10)19/h8-9H,2-7H2,1H3
InChIKey OAXRYCICPBPTBP-UHFFFAOYSA-N
Mol Weight 380.31 g/mol
Molecular Formula C17H17F5O4
Exact Mass 380.1047 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Grgy1fPi3K1
Name 1,2-Cyclohexanedicarboxylic acid, ethyl pentafluorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 380.104699838 u
Formula C17H17F5O4
InChI InChI=1S/C17H17F5O4/c1-2-25-16(23)8-5-3-4-6-9(8)17(24)26-7-10-11(18)13(20)15(22)14(21)12(10)19/h8-9H,2-7H2,1H3
InChIKey OAXRYCICPBPTBP-UHFFFAOYSA-N
Molecular Weight 380.311 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)COC(C1CCCCC1C(OCC)=O)=O)F)F)F