3-Methyl-4-nitro-isothiazole(1073-18-3) ¹H NMR

Product Name3-Methyl-4-nitro-isothiazole

CAS 1073-18-3

Molecular FormulaC4H4N2O2S

Molecular Weight144.15

InChIInChI=1S/C4H4N2O2S/c1-3-4(6(7)8)2-9-5-3/h2H,1H3

InChIKey FOWVNQQFRSJOLM-UHFFFAOYSA-N

SmilesS1C=C([N+]([O-])=O)C(C)=N1

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¹HNMR

parameter in CCl4

¹H NMR	300 MHz
C₄ H₄ N₂ O₂ S	in CCl₄
3-methyl-4-nitroisothiazole

    Parameter     ppm  Hz

      D(A)         9.54
      D(B)         2.74
       J(A,B)          0.6
     
     STAAB,H.A. & MANNSCHRECK,A. CHEM.BER. 98, 1111 (1965)

     Hz     ppm     Int.

   2862.32   9.541    264
   2861.75   9.539    264
    822.21   2.741   1000
    821.84   2.739   1000

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3-Methyl-4-nitro-isothiazole(1073-18-3) 1H NMR

3-Methyl-4-nitro-isothiazole(1073-18-3) ¹H NMR