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Back ChemicalBook Home>CAS DataBase List>729-99-7More Spectrum> SULFAMOXOL(729-99-7) IR2

SULFAMOXOL(729-99-7) IR2

Product NameSULFAMOXOL

CAS729-99-7

Molecular FormulaC11H13N3O3S

Molecular Weight267.3

InChIInChI=1S/C11H13N3O3S/c1-7-8(2)17-11(13-7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6H,12H2,1-2H3,(H,13,14)

InChIKey CYFLXLSBHQBMFT-UHFFFAOYSA-N

SmilesC1(S(NC2=NC(C)=C(C)O2)(=O)=O)=CC=C(N)C=C1


  • Mass

    MS-NW-6353          
    N(1)-(4,5-dimethyl-2-oxazolyl)sulfanilamide
    C11H13N3O3S         (Mass of molecular ion:    267)
    

       Source Temperature: 150 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          15.0       6.5
          18.0       2.9
          27.0       3.1
          28.0       5.6
          38.0       3.1
          39.0      16.2
          40.0       3.6
          41.0      11.2
          42.0      19.6
          43.0      42.8
          44.0       1.5
          48.0       1.2
          50.0       1.6
          51.0       2.1
          52.0       5.4
          53.0       4.1
          54.0       3.1
          55.0       1.3
          56.0       1.3
          62.0       1.7
          63.0       5.9
          64.0       5.6
          65.0      46.6
          66.0       9.1
          67.0       5.4
          68.0       3.2
          69.0       7.9
          80.0       6.3
          81.0       1.6
          83.0       8.3
          90.0       1.6
          91.0       4.9
          92.0      64.1
          93.0      33.3
          94.0       2.5
         101.5       3.5
         108.0      78.0
         109.0       9.1
         110.0       1.9
         111.0      16.8
         112.0       5.6
         118.0       1.2
         123.0       1.2
         124.0       3.6
         125.0       4.0
         140.0      72.7
         141.0       8.0
         142.0       3.9
         156.0      88.4
         157.0      87.6
         158.0      11.0
         159.0       6.1
         172.0       1.2
         202.0       3.4
         203.0      19.5
         204.0       2.9
         267.0     100.0
         268.0      15.2
         269.0       5.2
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C11 H13 N3 O3 S 0.040 g : 0.5 ml DMSO-d6
    N(1)-(4,5-dimethyl-2-oxazolyl)sulfanilamide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.5 B 7.499 C 6.571 C 5.79 E 2.031 F 1.933

         Hz     ppm     Int.
    

       3004.66   7.519     67
       3001.92   7.512    538
       3000.08   7.507    199
       2995.14   7.495    170
       2993.12   7.490    619
       2990.56   7.483     87
       2633.38   6.590     71
       2630.64   6.583    558
       2628.62   6.578    207
       2623.86   6.566    168
       2621.85   6.561    578
       2619.28   6.554     82
       2315.41   5.794    130
        812.71   2.034    913
        811.61   2.031   1000
        804.28   2.013     28
        802.64   2.009     23
        772.96   1.935    957
        771.86   1.932    977
    

KBr disc



nujol mull



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