930-42-7

4-Bromo-3-methyl-isothiazole (930-42-7) IR1

Product Name4-Bromo-3-methyl-isothiazole

CAS 930-42-7

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

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¹HNMR

IR1

IR2

parameter in CCl4

4-Bromo-3-methyl-isothiazole
(930-42-7) IR1

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

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