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57-68-1

磺胺二甲嘧啶(57-68-1)红外图谱(IR1)

产品名称:磺胺二甲嘧啶

CAS:57-68-1

分子式:C12H14N4O2S

分子量: 278.33

InChI:InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)

InChIKey: ASWVTGNCAZCNNR-UHFFFAOYSA-N

Smiles:C1(S(NC2=NC(C)=CC(C)=N2)(=O)=O)=CC=C(N)C=C1

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    Mass

    MS-IW-0573          
    N(1)-(4,6-dimethyl-2-pyrimidinyl)sulfanilamide
    C12H14N4O2S         (Mass of molecular ion:    278)
    

       Source Temperature: 200 °C
       Sample Temperature: 160 °C
       Direct, 75 eV
    

          28.0       3.0
          39.0       5.3
          40.0       1.0
          41.0       1.8
          42.0       4.0
          43.0       1.4
          52.0       1.3
          53.0       1.3
          54.0       2.5
          63.0       1.3
          64.0       2.1
          65.0      20.6
          66.0       4.1
          67.0       2.5
          80.0       1.7
          81.0       1.1
          82.0       1.9
          91.0       2.1
          92.0      25.1
          93.0       3.4
          95.0       1.0
          96.0       2.2
         106.0       2.9
         107.0       5.0
         108.0      10.9
         123.0       4.2
         124.0       1.2
         140.0       1.9
         156.0       2.8
         198.0       1.2
         199.0       1.8
         212.0       1.4
         213.0      63.6
         214.0     100.0
         215.0      14.0
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C12 H14 N4 O2 S 0.040 g : 0.5 ml DMSO-d6
    N(1)-(4,6-dimethyl-2-pyrimidinyl)sulfanilamide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.0 B 7.657 C 6.728 D 6.570 E 5.98 F 2.245

         Hz     ppm     Int.
    

       3064.93   7.670    159
       3063.09   7.665     46
       3057.96   7.652     54
       3056.13   7.648    166
       2688.88   6.729    147
       2632.65   6.588     21
       2630.09   6.581    172
       2628.26   6.577     48
       2623.13   6.564     53
       2621.30   6.559    165
       2387.94   5.976    135
        897.33   2.246   1000
    

in DMSO-d6

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KBr disc

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nujol mull

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