122-11-2

磺胺二甲氧嘧啶(122-11-2)质谱(MS)

产品名称:磺胺二甲氧嘧啶

CAS:122-11-2

分子式:C12H14N4O4S

分子量: 310.33

InChI:InChI=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

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

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

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

    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