Product Name2,3,4,5-TETRAIODO-6-SULFOBENZOICCYCLICANHYDRIDE

CAS

Molecular FormulaC7I4O4S

Molecular Weight687.75538

InChIInChI=1S/C7I4O4S/c8-2-1-6(5(11)4(10)3(2)9)16(13,14)15-7(1)12

InChIKey UQDQTEHMZFWZSX-UHFFFAOYSA-N

SmilesC1(OS(C2=C1C(I)=C(I)C(I)=C2I)(=O)=O)=O

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IR1

IR2

Mass

MS-NW-9073          
2,3,4,5-tetraiodo-6-sulfobenzoic cyclic anhydride
C7I4O4S             (Mass of molecular ion:    688)

   Source Temperature: 220 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      18.0       1.4
      28.0       1.7
      36.0       1.2
      44.0       2.6
      48.0       1.5
      60.0       1.0
      64.0       4.0
      72.0      11.8
      73.0       1.2
     116.0       1.1
     127.0      16.7
     128.0       7.9
     163.0       1.8
     187.0       2.1
     199.0      19.2
     200.0       1.7
     227.0       2.5
     254.0      31.3
     290.0       4.0
     298.0       1.4
     304.0       2.2
     312.0       1.0
     326.0      23.6
     327.0       2.1
     344.0       3.4
     370.0       1.2
     453.0      21.6
     454.0       1.4
     481.0      35.8
     482.0       3.2
     562.0       2.1
     580.0       3.1
     608.0      17.3
     624.0       1.6
     688.0     100.0

KBr disc

nujol mull

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