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2-NITRO-4,6-BIS-(TRIFLUOROMETHYLSULFONYL)-ANISOLE
SpectraBase Compound ID K9p9KE1dqSk
InChI InChI=1S/C9H5F6NO7S2/c1-23-7-5(16(17)18)2-4(24(19,20)8(10,11)12)3-6(7)25(21,22)9(13,14)15/h2-3H,1H3
InChIKey XRXKRMHXLVHHGL-UHFFFAOYSA-N
Mol Weight 417.25 g/mol
Molecular Formula C9H5F6NO7S2
Exact Mass 416.941163 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ECU1yM26hrR
Name 2-NITRO-4,6-BIS-(TRIFLUOROMETHYLSULFONYL)-ANISOLE
Compound Number 1E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H5F6NO7S2
InChI InChI=1S/C9H5F6NO7S2/c1-23-7-5(16(17)18)2-4(24(19,20)8(10,11)12)3-6(7)25(21,22)9(13,14)15/h2-3H,1H3
InChIKey XRXKRMHXLVHHGL-UHFFFAOYSA-N
Literature Reference Author N.ELGUESMI,T.BOUBAKER,R.GOUMONT,F.TERRIER
Literature Reference Citation EUR.J.ORG.CHEM.,2014,6774(2014)
Literature Reference DOI 10.1002/ejoc.201402607
Molecular Weight 417.252 g/mol
Solvent CD3CN
Source File Reference UWLU85405