54696-41-2

甲基钙黄绿素(54696-41-2)红外图谱(IR1)

产品名称:甲基钙黄绿素

CAS: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

    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