4-Bromo-3-methyl-isothiazole (930-42-7) IR1
Product Name4-Bromo-3-methyl-isothiazole
CAS930-42-7
Molecular FormulaC4H4BrNS
Molecular Weight178.05
InChIInChI=1S/C4H4BrNS/c1-3-4(5)2-7-6-3/h2H,1H3
InChIKey IXHNFDZCYLIMQS-UHFFFAOYSA-N
SmilesS1C=C(Br)C(C)=N1
parameter in CCl4
-
1H NMR 300 MHz C4 H4 Br N S in CCl4 4-bromo-3-methylisothiazole 
Parameter ppm Hz
D(A) 8.42 D(B) 2.48 J(A,B) 0.5 STAAB,H.A. & MANNSCHRECK,A. CHEM.BER. 98, 1111 (1965)
Hz ppm Int.2526.22 8.421 275 2525.89 8.420 274 744.18 2.481 1000 743.85 2.479 1000
KBr disc
nujol mull
