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6-PHENYL-2-BROM-4-METHYLTHIO-NICOTINONITRIL

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6-PHENYL-2-BROM-4-METHYLTHIO-NICOTINONITRIL
SpectraBase Compound ID 9k9RGKLu53I
InChI InChI=1S/C13H9BrN2S/c1-17-12-7-11(9-5-3-2-4-6-9)16-13(14)10(12)8-15/h2-7H,1H3
InChIKey GVYIBAIOMHABQR-UHFFFAOYSA-N
Mol Weight 305.19 g/mol
Molecular Formula C13H9BrN2S
Exact Mass 303.966982 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7RglSuHVCHs
Name 6-Phenyl-2-bromo-4-methylthio-nicotinonitrile
CAS Registry Number 84671-59-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H9BrN2S
InChI InChI=1S/C13H9BrN2S/c1-17-12-7-11(9-5-3-2-4-6-9)16-13(14)10(12)8-15/h2-7H,1H3
InChIKey GVYIBAIOMHABQR-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