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4-(2,2,2-trifluoroethoxy)-8-(trifluoromethyl)quinoline
SpectraBase Compound ID GX0y7e7mY9o
InChI InChI=1S/C12H7F6NO/c13-11(14,15)6-20-9-4-5-19-10-7(9)2-1-3-8(10)12(16,17)18/h1-5H,6H2
InChIKey XXICJEDHKWOEEX-UHFFFAOYSA-N
Mol Weight 295.18 g/mol
Molecular Formula C12H7F6NO
Exact Mass 295.043183 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BUqpiHyixxo
Name 4-(2,2,2-trifluoroethoxy)-8-(trifluoromethyl)quinoline
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 295.043182826 u
Formula C12H7F6NO
InChI InChI=1S/C12H7F6NO/c13-11(14,15)6-20-9-4-5-19-10-7(9)2-1-3-8(10)12(16,17)18/h1-5H,6H2
InChIKey XXICJEDHKWOEEX-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201704205
Molecular Weight 295.184 g/mol
Quality 374
Reported Formula C12H7F6NO
SMILES C1=CC2=C(C(=C1)C(F)(F)F)N=CC=C2OCC(F)(F)F
SPLASH splash10-000t-0890000000-7e76e6753c8894fb1d2f
Source of Spectrum QE-23-SM18-4f (DOI: 10.1002/chem.201704205)
Thin-Layer Chromatography 0.33 (hex/EtOAc, 4:1)
Wiley ID 1905994