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1-(4-METHYLPHENYL)-1-(O-ETHYLDITHIOCARBONATO)-2,2,2-TRIFLUOROETHYLISOCYANATE
SpectraBase Compound ID KLi0JEnSIFJ
InChI InChI=1S/C13H12F3NO2S2/c1-3-19-11(20)21-12(17-8-18,13(14,15)16)10-6-4-9(2)5-7-10/h4-7H,3H2,1-2H3
InChIKey ZKCBIAGNQATVGK-UHFFFAOYSA-N
Mol Weight 335.36 g/mol
Molecular Formula C13H12F3NO2S2
Exact Mass 335.026155 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B77p65uNKha
Name 1-(4-METHYLPHENYL)-1-(O-ETHYLDITHIOCARBONATO)-2,2,2-TRIFLUOROETHYLISOCYANATE
Comments ;BS-467 (TESLA)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H12F3NO2S2
InChI InChI=1S/C13H12F3NO2S2/c1-3-19-11(20)21-12(17-8-18,13(14,15)16)10-6-4-9(2)5-7-10/h4-7H,3H2,1-2H3
InChIKey ZKCBIAGNQATVGK-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference M.V.VOVK, M.M.BRETSKO, V.I.DOROKHOV (1989) Zhurn.Org.Khim.(Russ. Lang.): v.25,N4, 759-764.
NMR Standard CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CCl4 carbon tetrachl