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[1-(BENZYLSULFONYLMETHYL)-2,2,3,3,4,4-HEXYFLUOROBUTYLIDENE]-MALONONITRILE
SpectraBase Compound ID ADr0sWtt3yz
InChI InChI=1S/C15H10F6N2O2S/c16-13(17)15(20,21)14(18,19)12(11(6-22)7-23)9-26(24,25)8-10-4-2-1-3-5-10/h1-5,13H,8-9H2
InChIKey PBGSSQXPXFWFMX-UHFFFAOYSA-N
Mol Weight 396.31 g/mol
Molecular Formula C15H10F6N2O2S
Exact Mass 396.036718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LZ4QbF4mjj5
Name [1-(BENZYLSULFONYLMETHYL)-2,2,3,3,4,4-HEXYFLUOROBUTYLIDENE]-MALONONITRILE
Compound Number IIIC
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H10F6N2O2S
InChI InChI=1S/C15H10F6N2O2S/c16-13(17)15(20,21)14(18,19)12(11(6-22)7-23)9-26(24,25)8-10-4-2-1-3-5-10/h1-5,13H,8-9H2
InChIKey PBGSSQXPXFWFMX-UHFFFAOYSA-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
Molecular Weight 396.307 g/mol
Solvent ACETONE-D6