Product Name5-Bromo-2-thenyl isothiocyanate
Molecular FormulaC6H4BrNS2
Molecular Weight234.13666
InChIInChI=1S/C6H4BrNS2/c7-6-2-1-5(10-6)3-8-4-9/h1-2H,3H2
InChIKey HIKAZLFNDIQJDI-UHFFFAOYSA-N
SmilesC(N=C=S)C1SC(Br)=CC=1
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Parameter ppm Hz
D(A) 6.82 D(B) 6.65 D(C) 4.65 J(A,B) 3.8 J(A,C) 0.0 J(B,C) 0.8 TAKAHASHI,K. ET AL. BULL.CHEM.SOC.JPN. 36, 108 (1963)Spectral Code: 1H NMR : parameter neat