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3-(2,2,2-TRIFLUOROETHYL)-BENZONITRILE

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3-(2,2,2-TRIFLUOROETHYL)-BENZONITRILE
SpectraBase Compound ID BjXoFoO5snG
InChI InChI=1S/C9H6F3N/c10-9(11,12)5-7-2-1-3-8(4-7)6-13/h1-4H,5H2
InChIKey XZPHPNWCYCJPQF-UHFFFAOYSA-N
Mol Weight 185.15 g/mol
Molecular Formula C9H6F3N
Exact Mass 185.045234 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5f267xFsZ1N
Name 3-(2,2,2-TRIFLUOROETHYL)-BENZONITRILE
Compound Number 2G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H6F3N
InChI InChI=1S/C9H6F3N/c10-9(11,12)5-7-2-1-3-8(4-7)6-13/h1-4H,5H2
InChIKey XZPHPNWCYCJPQF-UHFFFAOYSA-N
Literature Reference Author X.JIANG,F.L.QING
Literature Reference Citation BEIL.J.ORG.CHEM.,9,2862(2013)
Literature Reference DOI 10.3762/bjoc.9.322
Solvent CDCl3
Source File Reference UWLU77959