57-68-1

磺胺二甲嘧啶(57-68-1)核磁圖(¹³CNMR)

產(chǎn)品名稱: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

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

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

    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