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3-Phenoxybenzyl 2,3,4,5,6-pentafluorobenzoate

View entire compound with spectra: 1 NMR, and 1 FTIR

3-Phenoxybenzyl 2,3,4,5,6-pentafluorobenzoate
SpectraBase Compound ID DV15V7WgRzN
InChI InChI=1S/C20H11F5O3/c21-15-14(16(22)18(24)19(25)17(15)23)20(26)27-10-11-5-4-8-13(9-11)28-12-6-2-1-3-7-12/h1-9H,10H2
InChIKey NQNVGDOIMSIJPZ-UHFFFAOYSA-N
Mol Weight 394.3 g/mol
Molecular Formula C20H11F5O3
Exact Mass 394.062835 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 97nOw0J4HWA
Name 3-Phenoxybenzyl 2,3,4,5,6-pentafluorobenzoate
Comments Computed using HOSE algorithm
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Exact Mass 394.062835026 u
Formula C20H11F5O3
InChI InChI=1S/C20H11F5O3/c21-15-14(16(22)18(24)19(25)17(15)23)20(26)27-10-11-5-4-8-13(9-11)28-12-6-2-1-3-7-12/h1-9H,10H2
InChIKey NQNVGDOIMSIJPZ-UHFFFAOYSA-N
Molecular Weight 394.297 g/mol
SMILES C(=O)(C1=C(C(=C(C(=C1F)F)F)F)F)OCC1=CC(OC2=CC=CC=C2)=CC=C1