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网站主页CAS数据库列表 54696-41-2更多图谱甲基钙黄绿素(54696-41-2)核磁图(1HNMR)

甲基钙黄绿素

产品名称 甲基钙黄绿素

CAS号54696-41-2

分子式C14H15NO5

分子量277.27


  • Mass

    MS-IW-1346          
    methyl calcein blue
    C14H15NO5           (Mass of molecular ion:    277)
    

       Source Temperature: 180 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          14.0       1.8
          15.0       9.5
          16.0       1.0
          17.0       2.8
          18.0      19.8
          27.0       3.5
          28.0      11.7
          29.0       4.1
          30.0       7.1
          31.0       4.6
          38.0       1.5
          39.0       4.0
          40.0       2.8
          41.0       4.5
          42.0      24.8
          43.0      17.3
          44.0     100.0
          45.0      13.1
          50.0       1.8
          51.0       4.5
          52.0       2.7
          53.0       1.7
          55.0       1.8
          57.0       1.7
          58.0       3.6
          60.0       7.6
          62.0       1.1
          63.0       2.9
          65.0       2.2
          66.0       1.4
          74.0       1.7
          75.0       1.0
          76.0       1.1
          77.0       6.6
          78.0       7.0
          79.0       2.6
          89.0      15.6
          90.0       2.3
          91.0       3.2
          92.0       1.0
         102.0       2.1
         103.0       8.0
         104.0       4.6
         105.0       4.1
         106.0       1.1
         115.0       1.9
         119.0       1.6
         131.0      16.2
         132.0       6.4
         133.0       3.6
         134.0       1.5
         145.0       1.3
         147.0       4.2
         148.0       4.2
         149.0       1.1
         159.0       3.9
         160.0      39.3
         161.0      18.0
         162.0      18.3
         163.0       2.1
         176.0       4.5
         188.0      29.2
         189.0      22.0
         190.0      38.9
         191.0       5.2
         218.0       2.4
         231.0       5.5
         232.0       4.4
         233.0      15.7
         234.0       2.3
    

400 MHz in DMSO-d6 at 70C


  • 1H NMR 399.65 MHz
    C14 H15 N O5 0.032 g : 0.5 ml DMSO-d6 at 70 C
    methyl calcein blue
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8. B 7.507 C 6.741 D 6.043 E 3.894 F 3.182 G 2.264 J 1.907

         Hz     ppm     Int.
    

       3004.61   7.519     94
       2995.91   7.497     98
       2698.52   6.753    118
       2689.67   6.731    113
       2415.31   6.044    133
       2414.09   6.041    138
       1556.40   3.895    137
       1271.97   3.183    150
        915.53   2.291     25
        914.46   2.289     26
        913.54   2.286     27
        905.15   2.265    226
        895.54   2.241     23
        762.33   1.908   1000
    

in DMSO-d6



KBr disc



nujol mull