723-46-6

Sulfamethoxazole(723-46-6) ¹³C NMR

Product NameSulfamethoxazole

CAS 723-46-6

Molecular FormulaC10H11N3O3S

Molecular Weight253.28

InChIInChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)

InChIKey JLKIGFTWXXRPMT-UHFFFAOYSA-N

SmilesC1(S(NC2C=C(C)ON=2)(=O)=O)=CC=C(N)C=C1

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Sulfamethoxazole(723-46-6) <sup>13</sup>C NMR
Mass

MS-NW-9489          
N-(5-methyl-3-isoxazolyl)sulfanilamide
C10H11N3O3S         (Mass of molecular ion:    253)

   Source Temperature: 220 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      18.0       2.9
      27.0       1.0
      28.0       3.7
      38.0       1.4
      39.0      10.3
      40.0       1.5
      41.0       4.2
      42.0       1.9
      43.0       8.2
      51.0       1.0
      52.0       3.2
      53.0       2.0
      54.0       1.5
      55.0       1.5
      63.0       3.6
      64.0       4.6
      65.0      44.0
      66.0       6.3
      67.0       1.6
      68.0       1.1
      69.0       1.5
      79.0       1.8
      80.0       3.4
      90.0       1.1
      91.0       4.1
      92.0     100.0
      93.0      12.1
      97.0       1.6
      98.0       1.0
     105.0       1.1
     106.0       4.9
     107.0       2.1
     108.0      67.9
     109.0       5.4
     118.0       2.3
     119.0      27.7
     120.0       2.5
     125.0       1.0
     140.0      14.8
     141.0       1.4
     146.0       2.3
     147.0       2.2
     156.0      83.0
     157.0      10.9
     158.0       4.6
     162.0      27.4
     163.0       3.0
     172.0       2.8
     174.0      17.6
     175.0       1.9
     188.0       4.0
     189.0      15.3
     190.0       1.9
     253.0      19.9
     254.0       4.6
     255.0       2.7

400 MHz in DMSO-d6

Sulfamethoxazole(723-46-6) <sup>13</sup>C NMR

¹H NMR	399.65 MHz
C₁₀ H₁₁ N₃ O₃ S	0.038 g : 0.5 ml DMSO-d₆
N-(5-methyl-3-isoxazolyl)sulfanilamide

    Assign.     Shift(ppm)

      A            10.95
      B             7.485
      C             6.598
      D             6.107
      E             6.1
      F             2.290
     
     J(D,F)=0.9HZ

     Hz     ppm     Int.

   4377.29  10.953    109
   2998.66   7.504     47
   2995.91   7.497    379
   2993.93   7.492     97
   2989.04   7.480    112
   2987.06   7.475    398
   2984.31   7.468     44
   2644.20   6.617     54
   2641.45   6.610    423
   2639.47   6.605    108
   2634.58   6.593    115
   2632.60   6.588    393
   2629.85   6.581     45
   2441.41   6.109    402
   2440.49   6.107    387
   2434.69   6.093    219
    915.53   2.291   1000
    914.76   2.289    859

in DMSO-d6