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4-Nitrophenyl pentafluorobenzyl ether

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

4-Nitrophenyl pentafluorobenzyl ether
SpectraBase Compound ID 32T64107IdT
InChI InChI=1S/C13H6F5NO3/c14-9-8(10(15)12(17)13(18)11(9)16)5-22-7-3-1-6(2-4-7)19(20)21/h1-4H,5H2
InChIKey ZBEFSXOWVLJJQM-UHFFFAOYSA-N
Mol Weight 319.19 g/mol
Molecular Formula C13H6F5NO3
Exact Mass 319.026784 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3diBr437Ci4
Name 4-Nitrophenyl pentafluorobenzyl ether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 319.026783869 u
Formula C13H6F5NO3
InChI InChI=1S/C13H6F5NO3/c14-9-8(10(15)12(17)13(18)11(9)16)5-22-7-3-1-6(2-4-7)19(20)21/h1-4H,5H2
InChIKey ZBEFSXOWVLJJQM-UHFFFAOYSA-N
Molecular Weight 319.187 g/mol
SMILES C1(OCC2=C(C(=C(C(=C2F)F)F)F)F)=CC=C(C=C1)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.928003