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2-(2-BENZOTHIAZOLYL)-3-BENZYLSULFONYLMETHYL-4,4,5,5,6,6-HEXAFLUORO-2-HEXENENITRILE

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2-(2-BENZOTHIAZOLYL)-3-BENZYLSULFONYLMETHYL-4,4,5,5,6,6-HEXAFLUORO-2-HEXENENITRILE
SpectraBase Compound ID AJ0L3YcpTEL
InChI InChI=1S/C21H14F6N2O2S2/c22-19(23)21(26,27)20(24,25)15(12-33(30,31)11-13-6-2-1-3-7-13)14(10-28)18-29-16-8-4-5-9-17(16)32-18/h1-9,19H,11-12H2/b15-14+
InChIKey DGSNDBSKLADWHG-CCEZHUSRSA-N
Mol Weight 504.47 g/mol
Molecular Formula C21H14F6N2O2S2
Exact Mass 504.040089 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FiDPN7duncy
Name 2-(2-BENZOTHIAZOLYL)-3-BENZYLSULFONYLMETHYL-4,4,5,5,6,6-HEXAFLUORO-2-HEXENENITRILE
Compound Number IIIE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H14F6N2O2S2
InChI InChI=1S/C21H14F6N2O2S2/c22-19(23)21(26,27)20(24,25)15(12-33(30,31)11-13-6-2-1-3-7-13)14(10-28)18-29-16-8-4-5-9-17(16)32-18/h1-9,19H,11-12H2/b15-14+
InChIKey DGSNDBSKLADWHG-CCEZHUSRSA-N
Literature Reference Author V.M.TIMOSHENKO,Y.G.SHERMOLOVICH
Literature Reference Citation RUSS.J.ORG.CHEM.,38,1538(2002)
Literature Reference DOI 10.1023/A:1022577110263
Solvent ACETONE
Source File Reference UWMZ10315