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3-PHENYL-7-FLUORO-1,4-DIAZA-6-THIABICYCLO[3.3.0]OCT-4-ENE (ISOMERMIXTURE)
SpectraBase Compound ID DfwDQ9HA7Ga
InChI InChI=1S/C11H11FN2S/c12-10-7-14-6-9(13-11(14)15-10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
InChIKey YVRXYZOPPBBIQB-UHFFFAOYSA-N
Mol Weight 222.28 g/mol
Molecular Formula C11H11FN2S
Exact Mass 222.062698 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fx2fWksepvy
Name 3-PHENYL-7-FLUORO-1,4-DIAZA-6-THIABICYCLO[3.3.0]OCT-4-ENE (ISOMERMIXTURE)
Comments INTERNAL STANDARD-C6F6 (-162.9 FROM CFCL3). THE STRUCTURE IS UNDER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H11FN2S
InChI InChI=1S/C11H11FN2S/c12-10-7-14-6-9(13-11(14)15-10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
InChIKey YVRXYZOPPBBIQB-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference XIAOLING HUANG, BARRY J. BLACKBURN, ALEXANDER F. JANZEN (1990) J.Fluor.Chem.:v.47, N1, 145-150.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C2D3N acetonitrile-d