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Back ChemicalBook Home>CAS DataBase List>723-46-6More Spectrum> Sulfamethoxazole(723-46-6) IR2

Sulfamethoxazole(723-46-6) IR2

Product NameSulfamethoxazole

CAS723-46-6

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


  • 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


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



KBr disc



nujol mull



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