2,1,3-benzoselenadiazole(273-15-4) 1H NMR
Product Name2,1,3-benzoselenadiazole
CAS273-15-4
Molecular FormulaC6H4N2Se
Molecular Weight183.07
InChIInChI=1S/C6H4N2Se/c1-2-4-6-5(3-1)7-9-8-6/h1-4H
InChIKey AYTPIVIDHMVGSX-UHFFFAOYSA-N
SmilesN1=C2C=CC=CC2=N[Se]1
parameter in acetone
parameter in CDCl3
-
1H NMR 300 MHz C6 H4 N2 Se in acetone 2,1,3-benzoselenadiazole 
Parameter ppm Hz
D(A) 7.837 D(B) 7.497 J(A,A') 0.92 J(A,B) 9.10 J(A,B') 1.18 J(A',B) 1.18 J(A',B') 9.10 J(B,B') 6.40 TOBIASON,F.L. & GOLDSTEIN,J.H. SPECTROCHIM.ACTA 25A, 1027 (1969)
Hz ppm Int.2360.38 7.868 77 2358.79 7.863 114 2356.45 7.855 823 2353.20 7.844 655 2349.53 7.832 578 2346.17 7.821 1000 2343.72 7.812 148 2342.34 7.808 109 2257.86 7.526 109 2256.49 7.522 148 2254.04 7.513 1000 2250.67 7.502 578 2247.00 7.490 653 2243.75 7.479 823 2241.41 7.471 114 2239.83 7.466 77
-
1H NMR 300 MHz C6 H4 N2 Se 20 wt% in CDCl3 2,1,3-benzoselenadiazole Parameter ppm Hz
D(A) 7.797 D(B) 7.363 J(A,A') 0.94 J(A,B) 9.08 J(A,B') 1.19 J(A',B) 1.19 J(A',B') 9.08 J(B,B') 6.50 BROWN,N.M.D. & BLADON,P. SPECTROCHIM.ACTA 24A, 1869 (1968)
Hz ppm Int.2348.42 7.828 78 2346.81 7.823 116 2344.40 7.815 857 2341.13 7.804 666 2337.48 7.792 599 2334.13 7.780 1000 2331.63 7.772 142 2330.19 7.767 103 2217.82 7.393 103 2216.38 7.388 142 2213.87 7.380 1000 2210.53 7.368 602 2206.88 7.356 666 2203.60 7.345 857 2201.19 7.337 116 2199.59 7.332 78
ANION RADICAL, REDUCTION WITH K IN THF AT -40C
