4430-24-4

Iodophenol Blue(4430-24-4) MS

Molecular FormulaC19H10I4O5S

Molecular Weight857.96

InChIInChI=1S/C19H10I4O5S/c20-12-5-9(6-13(21)17(12)24)19(10-7-14(22)18(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28-19/h1-8,24-25H

InChIKey RXNYILISXGUYFG-UHFFFAOYSA-N

SmilesS1(=O)(=O)C2=CC=CC=C2C(C2=CC(I)=C(O)C(I)=C2)(C2=CC(I)=C(O)C(I)=C2)O1

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IR1

IR2

Iodophenol Blue(4430-24-4) MS
Mass

MS-NW-9313          
3',3'',5',5''-tetraiodophenolsulfonephthalein
C19H10I4O5S         (Mass of molecular ion:    858)

   Source Temperature: 190 °C
   Sample Temperature: 240 °C
   Direct, 75 eV

      17.0       8.6
      18.0      46.5
      20.0       3.1
      28.0       7.1
      32.0       1.5
      36.0       5.1
      38.0       1.6
      39.0       2.0
      43.0       1.4
      44.0       1.8
      48.0       1.1
      50.0       1.3
      55.0       1.2
      57.0       1.8
      62.0       1.4
      63.0       2.2
      63.5       3.5
      64.0       5.0
      65.0       4.5
      66.0       1.2
      69.0       1.0
      71.0       1.1
      76.0       3.0
      77.0       1.8
      91.0       1.5
      92.0       1.2
      93.0      13.6
      94.0       5.8
     104.0       2.4
     115.0       1.1
     127.0      44.1
     128.0      38.5
     139.0       2.5
     153.0       1.7
     168.0       2.7
     196.0       6.7
     197.0       1.6
     213.0       1.7
     218.0       1.7
     254.0     100.0
     255.0       1.8
     256.0       1.1
     261.0      15.7
     262.0       2.4
     346.0       2.4
     397.0       1.1
     472.0       3.8
     525.0       2.1
     651.0       2.2
     732.0       1.1
     858.0       3.7

KBr disc