13027-28-6

四溴苯酚酞(13027-28-6)红外图谱(IR1)

分子式:C20H10Br4O4

分子量: 633.91

InChI:InChI=1S/C20H10Br4O4/c21-15-13-14(16(22)18(24)17(15)23)20(28-19(13)27,9-1-5-11(25)6-2-9)10-3-7-12(26)8-4-10/h1-8,25-26H

InChIKey: GNJLVMKERYSIAI-UHFFFAOYSA-N

Smiles:C1(=O)C2=C(C(Br)=C(Br)C(Br)=C2Br)C(C2=CC=C(O)C=C2)(C2=CC=C(O)C=C2)O1

IR1

IR2

Mass

MS-NW-9040          
4,5,6,7-tetrabromophenolphthalein
C20H10Br4O4         (Mass of molecular ion:    630)

   Source Temperature: 200 °C
   Sample Temperature: 230 °C
   Direct, 75 eV

      17.0       1.1
      18.0       5.0
      28.0       1.7
      36.0       9.4
      44.0       1.5
      48.0       1.8
      60.0       5.6
      72.0      31.7
      73.0       2.4
      76.0       1.1
      77.0       1.1
      79.0       4.0
      80.0       3.4
      81.0       3.8
      82.0       3.4
      90.0       2.7
      91.0       2.7
      93.0       2.0
     100.0       1.4
     115.0      10.7
     116.0      13.4
     117.0      10.4
     127.0       1.1
     129.0       1.8
     130.0       1.3
     131.0       1.5
     139.0       2.4
     141.0       2.3
     151.0      31.7
     152.0       2.3
     153.0      31.1
     154.0       2.3
     154.5       2.9
     155.5       8.6
     156.5       8.4
     157.5       2.6
     179.0       6.0
     181.0       5.7
     194.0       2.1
     195.0       7.5
     196.0      11.5
     197.0       7.3
     198.0       1.9
     208.0       2.0
     209.0       2.6
     210.0       4.4
     211.0       2.4
     230.0      30.8
     231.0       2.8
     232.0      60.4
     233.0       4.9
     234.0      29.7
     235.0       2.0
     309.0      10.9
     311.0      31.8
     312.0       2.2
     313.0      31.1
     314.0       2.1
     315.0      10.3
     337.0       7.6
     339.0      21.7
     340.0       2.0
     341.0      21.4
     342.0       1.9
     343.0       7.1
     388.0       7.1
     390.0      26.7
     391.0       1.8
     392.0      38.9
     393.0       2.7
     394.0      25.4
     395.0       1.7
     396.0       6.3
     416.0      17.7
     417.0       1.5
     418.0      68.1
     419.0       5.4
     420.0     100.0
     421.0       7.8
     422.0      64.3
     423.0       5.1
     424.0      16.0
     425.0       1.3
     460.0      17.8
     461.0       1.6
     462.0      67.7
     463.0       6.1
     464.0      98.9
     465.0       8.7
     466.0      64.3
     467.0       5.7
     468.0      16.0
     469.0       1.4

KBr disc