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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>122-11-2更多圖譜> 磺胺二甲氧嘧啶(122-11-2)質(zhì)譜(MS)

122-11-2

磺胺二甲氧嘧啶(122-11-2)質(zhì)譜(MS)

產(chǎn)品名稱: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

  • 圖譜
    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

  • 圖譜

    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

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

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