Product Name5-Methoxy-2,1,3-benzoselenadiazole
Molecular FormulaC7H6N2OSe
Molecular Weight213.09534
InChIInChI=1S/C7H6N2OSe/c1-10-5-2-3-6-7(4-5)9-11-8-6/h2-4H,1H3
InChIKey AIUMCRZJPYFOQK-UHFFFAOYSA-N
SmilesN1=C2C=CC(OC)=CC2=N[Se]1
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Parameter ppm Hz
D(A) 6.947 D(B) 7.116 D(C) 7.598 J(A,B) 2.20 J(A,C) 0.04 J(B,C) 10.47 D(D) 3.870 BROWN,N.M.D. & BLADON,P. SPECTROCHIM.ACTA 24A, 1869 (1968)Spectral Code: 1H NMR : parameter in CDCl3