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Phthalic acid, 1-(pentafluorophenyl)ethyl pentyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 1-(pentafluorophenyl)ethyl pentyl ester
SpectraBase Compound ID 1MY7shikbc4
InChI InChI=1S/C21H19F5O4/c1-3-4-7-10-29-20(27)12-8-5-6-9-13(12)21(28)30-11(2)14-15(22)17(24)19(26)18(25)16(14)23/h5-6,8-9,11H,3-4,7,10H2,1-2H3
InChIKey WHWCUKQQBPRNCJ-UHFFFAOYSA-N
Mol Weight 430.37 g/mol
Molecular Formula C21H19F5O4
Exact Mass 430.12035 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IwTsp3WpuTd
Name Phthalic acid, 1-(pentafluorophenyl)ethyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 430.120349903 u
Formula C21H19F5O4
InChI InChI=1S/C21H19F5O4/c1-3-4-7-10-29-20(27)12-8-5-6-9-13(12)21(28)30-11(2)14-15(22)17(24)19(26)18(25)16(14)23/h5-6,8-9,11H,3-4,7,10H2,1-2H3
InChIKey WHWCUKQQBPRNCJ-UHFFFAOYSA-N
Molecular Weight 430.371 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OC(C)C1=C(C(=C(C(=C1F)F)F)F)F)C(=O)OCCCCC