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5-(4-Tolyl)-3,3-bis(trifluoromethyl)-3H-1,2,4-dithiazole

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5-(4-Tolyl)-3,3-bis(trifluoromethyl)-3H-1,2,4-dithiazole
SpectraBase Compound ID 6Yf9Iw4pX0C
InChI InChI=1S/C11H7F6NS2/c1-6-2-4-7(5-3-6)8-18-9(20-19-8,10(12,13)14)11(15,16)17/h2-5H,1H3
InChIKey NCXSQMFBKHAFPC-UHFFFAOYSA-N
Mol Weight 331.29 g/mol
Molecular Formula C11H7F6NS2
Exact Mass 330.992411 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ES0P3zL2hs
Name 5-(4-Tolyl)-3,3-bis(trifluoromethyl)-3H-1,2,4-dithiazole
CAS Registry Number 55015-74-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H7F6NS2
InChI InChI=1S/C11H7F6NS2/c1-6-2-4-7(5-3-6)8-18-9(20-19-8,10(12,13)14)11(15,16)17/h2-5H,1H3
InChIKey NCXSQMFBKHAFPC-UHFFFAOYSA-N
Instrument Name Jeol FX-60
Literature Reference K. Burger, D. Huebl, E. Huber, Chemiker-Zeitung 110, 87 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3