5-Methyl-isothiazole(693-97-0) ¹H NMR

Product Name5-Methyl-isothiazole

CAS 693-97-0

Molecular FormulaC4H5NS

Molecular Weight99.15

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

InChIKey LBBKWEDRPDGXPM-UHFFFAOYSA-N

SmilesS1C(C)=CC=N1

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¹HNMR

parameter in CS2

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

    Parameter     ppm  Hz

      D(A)         8.148
      D(B)         6.846
      D(C)         2.538
       J(A,B)          1.63
       J(A,C)          0.55
       J(B,C)         -1.00
     
     WASYLISHEN,R.E. ET AL. CAN.J.CHEM. 52, 833 (1974)

     Hz     ppm     Int.

   2445.44   8.151    212
   2444.92   8.150    233
   2443.94   8.146    235
   2443.42   8.145    214
   2056.04   6.853     76
   2055.11   6.850    182
   2054.12   6.847    226
   2053.55   6.845    225
   2052.56   6.842    181
   2051.57   6.839     73
    761.21   2.537   1000

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