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Pentadecafluorooctanoic acid, 4-benzyloxyphenyl ester

View entire compound with spectra: 1 NMR

Pentadecafluorooctanoic acid, 4-benzyloxyphenyl ester
SpectraBase Compound ID CIAV93m6JgW
InChI InChI=1S/C21H11F15O3/c22-15(23,14(37)39-13-8-6-12(7-9-13)38-10-11-4-2-1-3-5-11)16(24,25)17(26,27)18(28,29)19(30,31)20(32,33)21(34,35)36/h1-9H,10H2
InChIKey KUVCRZQYGASDAZ-UHFFFAOYSA-N
Mol Weight 596.29 g/mol
Molecular Formula C21H11F15O3
Exact Mass 596.046867 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7WWIklEAbvp
Name Pentadecafluorooctanoic acid, 4-benzyloxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 596.046866656 u
Formula C21H11F15O3
InChI InChI=1S/C21H11F15O3/c22-15(23,14(37)39-13-8-6-12(7-9-13)38-10-11-4-2-1-3-5-11)16(24,25)17(26,27)18(28,29)19(30,31)20(32,33)21(34,35)36/h1-9H,10H2
InChIKey KUVCRZQYGASDAZ-UHFFFAOYSA-N
Molecular Weight 596.292 g/mol
SMILES C(C(F)(F)C(C(F)(F)C(C(C(=O)OC1=CC=C(OCC2=CC=CC=C2)C=C1)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F