3326-34-9

5-氨基荧光素(3326-34-9)红外图谱(IR2)

分子式:C20H13NO5

分子量: 347.32

InChI:InChI=1S/C20H13NO5/c21-10-1-4-14-13(7-10)19(24)26-20(14)15-5-2-11(22)8-17(15)25-18-9-12(23)3-6-16(18)20/h1-9,22-23H,21H2

InChIKey: GZAJOEGTZDUSKS-UHFFFAOYSA-N

Smiles:C12(C3=C(C=C(O)C=C3)OC3=C1C=CC(O)=C3)C1=C(C=C(N)C=C1)C(=O)O2

Mass

MS-NW-7455          
5-aminofluorescein
C20H13NO5           (Mass of molecular ion:    347)

   Source Temperature: 210 °C
   Sample Temperature: 220 °C
   Direct, 75 eV

      17.0       7.7
      18.0      34.3
      28.0       3.7
      32.0       2.7
      33.0       1.6
      34.0       4.9
      39.0       1.5
      41.0       1.5
      44.0       5.1
      51.0       1.5
      52.0       1.3
      63.0       2.8
      64.0       6.5
      65.0       1.1
      69.0       1.5
      74.0       1.0
      75.0       1.7
      76.0       1.1
      77.0       1.0
      81.5       1.0
      82.0       1.1
      87.0       1.4
      88.0       2.2
      89.0       1.3
      91.0       1.7
      93.5       1.3
      94.0       1.8
      94.5       3.6
      95.0       1.5
      95.5       1.6
      96.0       1.0
     100.0       3.1
     100.5       1.5
     101.0       2.8
     102.0       1.8
     102.5       1.0
     107.5       1.0
     108.0       1.1
     108.5       3.7
     109.0       1.8
     110.0       1.5
     113.0       1.0
     114.0       1.7
     114.5       1.4
     115.0       1.6
     123.0       1.6
     123.5       1.1
     128.0       1.5
     128.5       1.3
     129.0       1.8
     136.5       3.2
     137.0       3.5
     137.5       1.2
     139.0       1.1
     143.0       4.9
     143.5       1.7
     145.5       1.8
     150.0       1.0
     151.0      15.4
     151.5       9.6
     152.0       2.8
     159.5       4.3
     160.0       2.0
     163.0       1.8
     164.0       1.1
     173.5       1.0
     176.0       1.7
     187.0       1.5
     189.0       4.0
     190.0       1.6
     191.0       1.2
     192.0       1.2
     200.0       2.2
     201.0       1.8
     202.0       2.3
     203.0       1.0
     204.0       1.4
     213.0       1.8
     214.0       1.5
     216.0       1.1
     217.0       2.8
     218.0       1.6
     228.0       1.6
     229.0       1.1
     244.0       2.3
     245.0       2.2
     246.0       2.0
     257.0       1.2
     258.0       2.9
     259.0       1.1
     272.0       1.0
     273.0       5.8
     274.0       5.9
     275.0       2.8
     285.0       1.4
     286.0      38.9
     287.0      35.7
     288.0       7.3
     289.0       1.1
     301.0       2.9
     302.0     100.0
     303.0      85.1
     304.0      16.2
     305.0       2.3
     318.0       2.6
     319.0       1.3
     346.0       2.3
     347.0       4.5
     348.0       1.9
     349.0       1.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₂₀ H₁₃ N O₅	0.033 g : 0.5 ml DMSO-d₆
5-aminofluorescein

    Assign.     Shift(ppm)

      A            10.11
      B             7.008
      C             6.970
      D             6.879
      E             6.666
      F             6.617
      G             6.569
      J             5.77

     Hz     ppm     Int.

   4042.21  10.115    772
   4034.42  10.095     32
   2801.97   7.012    315
   2800.14   7.007    384
   2795.56   6.996     30
   2791.60   6.986    190
   2789.46   6.980    135
   2783.36   6.965    260
   2781.22   6.960    224
   2752.69   6.888    360
   2749.33   6.880     35
   2748.41   6.878     32
   2744.45   6.868    249
   2665.56   6.670    779
   2663.27   6.665    839
   2659.76   6.656     80
   2657.17   6.649     42
   2655.64   6.645     45
   2650.60   6.633    467
   2641.91   6.611   1000
   2638.09   6.602     70
   2634.89   6.593     50
   2634.28   6.592     49
   2629.55   6.580    602
   2627.26   6.574    520
   2623.44   6.565     62
   2620.85   6.558    289
   2618.56   6.553    275
   2305.45   5.769    360
   2295.84   5.745     33
   2295.38   5.744     31

DMSO-d6