693-90-3

4-Methylisothiazole(693-90-3) IR1

Product Name4-Methylisothiazole

CAS 693-90-3

Molecular FormulaC4H5NS

Molecular Weight99.15

InChIInChI=1S/C4H5NS/c1-4-2-5-6-3-4/h2-3H,1H3

InChIKey YUTQRQJTFPEEPB-UHFFFAOYSA-N

SmilesS1C=C(C)C=N1

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¹HNMR

IR1

IR2

parameter in CS2

4-Methylisothiazole(693-90-3) IR1

¹H NMR	300 MHz
C₄ H₅ N S	10 mol% in CS₂
4-methylisothiazole

    Parameter     ppm  Hz

      D(A)         8.132
      D(B)         8.105
      D(C)         2.301
       J(A,B)          0.33
       J(A,C)         -0.44
       J(B,C)         -0.98
     
     WASYLISHEN,R.E. ET AL. CAN.J.CHEM. 52, 833 (1974)

     Hz     ppm     Int.

   2439.58   8.132    431
   2431.97   8.107    278
   2431.10   8.104    279
    690.64   2.302   1000
    690.05   2.300    999

KBr disc

nujol mull

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