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3-PHENYL-7,7,8-TRIFLUORO-1,4-DIAZA-6-THIABICYCLO[3.3.0]OCT-4-ENE
SpectraBase Compound ID 4sCbepZIHoP
InChI InChI=1S/C11H9F3N2S/c12-9-11(13,14)17-10-15-8(6-16(9)10)7-4-2-1-3-5-7/h1-5,8-9H,6H2
InChIKey MNEYVFBNYKDMST-UHFFFAOYSA-N
Mol Weight 258.26 g/mol
Molecular Formula C11H9F3N2S
Exact Mass 258.043854 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DBbWmVGHWQQ
Name 3-PHENYL-7,7,8-TRIFLUORO-1,4-DIAZA-6-THIABICYCLO[3.3.0]OCT-4-ENE
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 C11H9F3N2S
InChI InChI=1S/C11H9F3N2S/c12-9-11(13,14)17-10-15-8(6-16(9)10)7-4-2-1-3-5-7/h1-5,8-9H,6H2
InChIKey MNEYVFBNYKDMST-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