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Back ChemicalBook Home>CAS DataBase List>122-11-2More Spectrum> Sulfadimethoxine(122-11-2) IR2

122-11-2

Sulfadimethoxine(122-11-2) IR2

Product NameSulfadimethoxine

CAS122-11-2

Molecular FormulaC12H14N4O4S

Molecular Weight310.33

InChIInChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)

InChIKey ZZORFUFYDOWNEF-UHFFFAOYSA-N

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

  • Sulfadimethoxine(122-11-2) IR2
    Mass

    MS-NW-9490          
    N-(2,6-dimethoxy-4-pyrimidinyl)sulfanilamide
    C12H14N4O4S         (Mass of molecular ion:    310)
    

       Source Temperature: 230 °C
       Sample Temperature: 160 °C
       Direct, 75 eV
    

          15.0       1.9
          18.0       1.0
          28.0       1.7
          39.0       3.1
          41.0       1.3
          42.0       1.1
          54.0       1.0
          58.0       2.3
          63.0       1.2
          64.0       1.7
          65.0      18.6
          66.0       2.7
          67.0       1.4
          68.0       1.2
          69.0       1.2
          72.0       1.4
          80.0       1.3
          82.0       1.9
          91.0       1.5
          92.0      27.1
          93.0       3.4
         106.0       1.8
         107.0       1.4
         108.0      14.4
         109.0       1.3
         113.0       1.1
         119.0       1.0
         123.0       1.2
         125.0       2.0
         128.0       1.2
         131.0       5.5
         132.0       2.3
         133.0       1.5
         134.0       2.6
         140.0       2.9
         146.0       1.8
         154.0       3.4
         155.0       1.2
         156.0       5.6
         157.0       3.2
         158.0       1.5
         172.0       1.7
         173.0       7.4
         174.0       2.4
         204.0       1.2
         214.0       1.0
         215.0       1.9
         216.0       1.7
         217.0       1.1
         230.0       4.5
         231.0       2.6
         245.0      53.1
         246.0     100.0
         247.0      14.3
         248.0       1.3
         311.0       1.0
    

400 MHz in DMSO-d6

  • Sulfadimethoxine(122-11-2) IR2

    1H NMR 399.65 MHz
    C12 H14 N4 O4 S 0.035 g : 0.5 ml DMSO-d6
    N-(2,6-dimethoxy-4-pyrimidinyl)sulfanilamide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.1 B 7.587 C 6.625 D 6.12 E 5.960 F *1 3.804 G *1 3.802

         Hz     ppm     Int.
    

       3039.46   7.606     23
       3036.90   7.599    186
       3035.07   7.595     66
       3029.94   7.582     62
       3027.93   7.577    207
       3025.36   7.571     30
       2655.00   6.644     26
       2652.25   6.637    199
       2650.42   6.632     69
       2645.47   6.620     61
       2643.46   6.615    203
       2640.71   6.608     29
       2446.19   6.121    106
       2382.08   5.961    363
       1520.28   3.805   1000
       1519.73   3.803   1000
    

in DMSO-d6

  • Sulfadimethoxine(122-11-2) IR2

KBr disc

  • Sulfadimethoxine(122-11-2) IR2

nujol mull

  • Sulfadimethoxine(122-11-2) IR2

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