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6-(4-METHOXY-PHENYL)-2-BROM-4-METHYLTHIO-NICOTINONITRIL

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6-(4-METHOXY-PHENYL)-2-BROM-4-METHYLTHIO-NICOTINONITRIL
SpectraBase Compound ID JaEd0Z0EJm
InChI InChI=1S/C14H11BrN2OS/c1-18-10-5-3-9(4-6-10)12-7-13(19-2)11(8-16)14(15)17-12/h3-7H,1-2H3
InChIKey HBDJBRQBVBADIM-UHFFFAOYSA-N
Mol Weight 335.22 g/mol
Molecular Formula C14H11BrN2OS
Exact Mass 333.977547 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JEJa1xcVYJR
Name 2-Bromo-6-(4-methoxy-phenyl)-4-methylthio-nicotinonitrile
CAS Registry Number 84671-61-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H11BrN2OS
InChI InChI=1S/C14H11BrN2OS/c1-18-10-5-3-9(4-6-10)12-7-13(19-2)11(8-16)14(15)17-12/h3-7H,1-2H3
InChIKey HBDJBRQBVBADIM-UHFFFAOYSA-N
Literature Reference K. Peseke, M. Michalik, U. Schoenhusen, J. Prakt. Chem. 329, 877 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3