SULFAMETHIZOLE(144-82-1) ¹³C NMR

Product NameSULFAMETHIZOLE

CAS 144-82-1

Molecular FormulaC9H10N4O2S2

Molecular Weight270.33

InChIInChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)

InChIKey VACCAVUAMIDAGB-UHFFFAOYSA-N

SmilesC1(S(NC2=NN=C(C)S2)(=O)=O)=CC=C(N)C=C1

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SULFAMETHIZOLE(144-82-1) <sup>13</sup>C NMR
Mass

MS-NW-9483          
N-(5-methyl-1,3,4-thiadiazol-2-yl)sulfanilamide
C9H10N4O2S2         (Mass of molecular ion:    270)

   Source Temperature: 230 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      18.0       1.7
      27.0       1.4
      28.0       1.6
      39.0       6.7
      41.0       2.7
      42.0       1.6
      52.0       2.1
      53.0       1.3
      56.0       3.6
      57.0       2.6
      58.0       1.4
      59.0       9.6
      63.0       3.2
      64.0       3.7
      65.0      38.1
      66.0       4.7
      74.0       1.4
      79.0       1.1
      80.0       3.0
      90.0       1.0
      91.0       3.1
      92.0      91.2
      93.0      27.3
      94.0       1.7
      99.0       1.6
     103.0       2.3
     105.0       1.6
     106.0      35.1
     107.0       3.6
     108.0      65.2
     109.0      19.3
     110.0       1.4
     115.0       1.2
     123.0       1.4
     124.0       1.6
     125.0       2.5
     140.0       7.0
     147.0      12.9
     148.0       1.4
     150.0       4.0
     156.0      60.3
     157.0       5.4
     158.0       3.1
     162.0       6.3
     164.0       2.7
     165.0       1.4
     205.0       3.1
     206.0      24.2
     207.0       3.1
     208.0       1.2
     270.0     100.0
     271.0      15.0
     272.0      10.1
     273.0       1.4

400 MHz in DMSO-d6

SULFAMETHIZOLE(144-82-1) <sup>13</sup>C NMR

¹H NMR	399.65 MHz
C₉ H₁₀ N₄ O₂ S₂	0.031 g : 0.5 ml DMSO-d₆
N-(5-methyl-1,3,4-thiadiazol-2-yl)sulfanilamide

    Assign.     Shift(ppm)

      A             7.425
      B             6.587
      C             5.93
      E             2.446

     Hz     ppm     Int.

   2974.73   7.444     36
   2972.05   7.437    281
   2970.09   7.432     87
   2967.90   7.427     23
   2967.29   7.425     23
   2965.21   7.420     90
   2963.26   7.415    284
   2960.57   7.408     38
   2639.40   6.605     39
   2636.72   6.598    290
   2634.77   6.593     88
   2632.45   6.587     23
   2629.88   6.581     87
   2628.05   6.576    263
   2625.24   6.569     36
    977.42   2.446   1000

in DMSO-d6