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1-(3-Bromo-phenyl)-2-cyano-3,3-bis(methylthio)-prop-2-en-1-one
SpectraBase Compound ID 4IgHEdSjyF1
InChI InChI=1S/C12H10BrNOS2/c1-16-12(17-2)10(7-14)11(15)8-4-3-5-9(13)6-8/h3-6H,1-2H3
InChIKey BWPKVWSFJAHHCB-UHFFFAOYSA-N
Mol Weight 328.24 g/mol
Molecular Formula C12H10BrNOS2
Exact Mass 326.938719 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KdHKSO0vn5h
Name 1-(3-Bromo-phenyl)-2-cyano-3,3-bis(methylthio)-prop-2-en-1-one
Comments 20 MHZ OR 50 MHZ SPECTRUM
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Formula C12H10BrNOS2
InChI InChI=1S/C12H10BrNOS2/c1-16-12(17-2)10(7-14)11(15)8-4-3-5-9(13)6-8/h3-6H,1-2H3
InChIKey BWPKVWSFJAHHCB-UHFFFAOYSA-N
Instrument Name see comment
Literature Reference G. Fischer, W-D. Rudorf, E. Kleinpeter, Magn. Res. Chem. 29, 212 (1991).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3