87-48-9

5-溴靛红(87-48-9)红外图谱(IR2)

产品名称:5-溴靛红

CAS:87-48-9

分子式:C8H4BrNO2

分子量: 226.03

InChI:InChI=1S/C8H4BrNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)

InChIKey: MBVCESWADCIXJN-UHFFFAOYSA-N

Smiles:N1C2=C(C=C(Br)C=C2)C(=O)C1=O

¹HNMR

IR1

IR2

Mass

MS-NW-8231          
5-bromo-2,3-indolinedione
C8H4BrNO2           (Mass of molecular ion:    225)

   Source Temperature: 190 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      18.0       1.6
      28.0       3.4
      36.0       1.2
      37.0       8.9
      38.0       9.1
      39.0       6.3
      40.0       1.9
      44.0       1.9
      44.5      10.3
      45.0       5.6
      45.5       1.8
      49.0       2.7
      50.0       6.2
      51.0       2.9
      52.0       7.5
      53.0       2.1
      59.0       5.7
      59.5       1.0
      60.0       1.7
      61.0      10.8
      62.0      19.6
      63.0      47.4
      64.0      11.3
      65.0       2.3
      73.0       2.8
      74.0       9.5
      75.0      11.3
      76.0       2.2
      77.0       1.5
      84.5       7.0
      85.0       1.4
      85.5       6.8
      86.0       1.6
      87.0       2.0
      88.0       4.7
      89.0       4.9
      90.0      32.4
      91.0       5.4
      92.0      10.0
      93.0       1.0
      98.5       4.1
      99.5       4.0
     117.0       2.0
     118.0       1.6
     119.0      15.9
     120.0       1.4
     141.0       1.3
     142.0       6.0
     143.0       1.7
     144.0       5.9
     147.0      10.3
     148.0       1.1
     154.0       2.5
     156.0       2.4
     168.0       4.4
     169.0      24.1
     170.0      22.5
     171.0      24.6
     172.0      17.9
     173.0       1.3
     197.0     100.0
     198.0       8.3
     199.0      98.0
     200.0       8.0
     225.0      45.5
     226.0       4.9
     227.0      44.5
     228.0       4.3
     277.0       1.7

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₈ H₄ Br N O₂	0.039 g : 0.5 ml DMSO-d₆
5-bromo-2,3-indolinedione

    Assign.     Shift(ppm)

      A            11.1
      B             7.731
      C             7.639
      D             6.875

     Hz     ppm     Int.

   4457.72  11.155    624
   3094.96   7.745    516
   3092.95   7.740    542
   3086.72   7.724    547
   3084.71   7.719    568
   3054.12   7.642   1000
   3052.29   7.638    888
   2751.89   6.886    850
   2743.65   6.866    812

KBr disc