Product Name 5-Iodo-2-thiopheneacetonitrile
CAS
MFC6H4INS
MW249.07213
InChIInChI=1S/C6H4INS/c7-6-2-1-5(9-6)3-4-8/h1-2H,3H2
InChIKeyCIMASCDZHXTJGY-UHFFFAOYSA-N
SmilesC1(CC#N)SC(I)=CC=1
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Parameter ppm Hz D(A) 7.02 D(B) 6.64 D(C) 3.78 J(A,B) 3.7 J(A,C) 0.0 J(B,C) 1.0 TAKAHASHI,K. ET AL. BULL.CHEM.SOC.JPN. 36, 108 (1963)
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