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ENDO-2-THIOCYANATO-5,6-TETRAFLUOROBENZOBICYCLO[2.2.2]OCTENE
SpectraBase Compound ID KVihFX6uaTG
InChI InChI=1S/C13H9F4NS/c14-10-8-5-1-2-6(7(3-5)19-4-18)9(8)11(15)13(17)12(10)16/h5-7H,1-3H2/t5-,6+,7-/m0/s1
InChIKey RKLLUJUUFMVHDZ-XVMARJQXSA-N
Mol Weight 287.28 g/mol
Molecular Formula C13H9F4NS
Exact Mass 287.039183 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2mddUSq2sMB
Name ENDO-2-THIOCYANATO-5,6-TETRAFLUOROBENZOBICYCLO[2.2.2]OCTENE
Comments CARCAS STRUCTURE, C=10%
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H9F4NS
InChI InChI=1S/C13H9F4NS/c14-10-8-5-1-2-6(7(3-5)19-4-18)9(8)11(15)13(17)12(10)16/h5-7H,1-3H2/t5-,6+,7-/m0/s1
InChIKey RKLLUJUUFMVHDZ-XVMARJQXSA-N
Instrument Name Varian A56/60A
Literature Reference A.YU.SPIVAK, T.P.LOBANOVA, V.S.CHERTOK, M.I.PODGORNAYA, V.A.BARKHASH (1976)Zhurn.Org.Khim.(Russ. Lang.): v.12, N6, 1210-1223.
NMR Standard C6F6
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CCl4 carbon tetrachl