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1-Nitro-4-(2,2,2-trifluoroethoxy)benzene
SpectraBase Compound ID 2wqvIeAl0ax
InChI InChI=1S/C8H6F3NO3/c9-8(10,11)5-15-7-3-1-6(2-4-7)12(13)14/h1-4H,5H2
InChIKey PPYNEIXRXPMHLF-UHFFFAOYSA-N
Mol Weight 221.14 g/mol
Molecular Formula C8H6F3NO3
Exact Mass 221.029978 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID m0chZmXQz6
Name 1-nitro-4-(2,2,2-trifluoroethoxy)benzene
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 221.029977543 u
Formula C8H6F3NO3
InChI InChI=1S/C8H6F3NO3/c9-8(10,11)5-15-7-3-1-6(2-4-7)12(13)14/h1-4H,5H2
InChIKey PPYNEIXRXPMHLF-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201704205
Molecular Weight 221.135 g/mol
Quality 299
SMILES C1(=CC=C(C=C1)OCC(F)(F)F)[N+]([O-])=O
SPLASH splash10-03dl-9420000000-f5ce9169e98209d5d2bb
Source of Spectrum QE-23-SM13-3g (DOI: 10.1002/chem.201704205)
Thin-Layer Chromatography 0.46 (hex/EtOAc, 4:1)
Wiley ID 1905983