68460-01-5

Tetrabromo-2-sulfobenzoic acid cyclic anhydride(68460-01-5)IR

Product NameTetrabromo-2-sulfobenzoic acid cyclic anhydride

CAS 68460-01-5

Molecular FormulaC7Br4O4S

Molecular Weight499.75

InChIInChI=1S/C7Br4O4S/c8-2-1-6(5(11)4(10)3(2)9)16(13,14)15-7(1)12

InChIKey QPGYGIVRJIICGZ-UHFFFAOYSA-N

SmilesS1(=O)(=O)C2=C(Br)C(Br)=C(Br)C(Br)=C2C(=O)O1

Request For Quotation

¹³CNMR

Tetrabromo-2-sulfobenzoic acid cyclic anhydride(68460-01-5)IR
Mass

MS-NW-2469          
tetrabromo-2-sulfobenzoic acid cyclic anhydride
C7Br4O4S            (Mass of molecular ion:    496)

   Source Temperature: 240 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      12.0       1.4
      17.0       3.5
      18.0      17.2
      24.0       1.2
      28.0       8.5
      32.0       2.8
      36.0      34.4
      37.0       1.1
      44.0       6.9
      48.0      13.0
      52.0       2.1
      56.0       1.7
      60.0      30.6
      61.0       1.8
      64.0       7.1
      68.0       5.4
      72.0      99.9
      73.0       7.1
      75.5       1.3
      76.5       1.2
      79.0       9.8
      80.0       3.5
      81.0       9.8
      82.0       2.9
      83.5       1.8
      84.5       1.7
      88.0       1.2
      89.5       4.1
      90.5       3.6
      91.0       6.8
      91.5       1.6
      92.0       7.2
      92.5       1.4
      93.0       6.5
     100.0       1.5
     103.0       1.4
     104.0       5.3
     105.0       1.4
     109.0       2.1
     110.0       3.4
     111.0       1.9
     115.0      29.6
     115.5       1.2
     116.0      33.4
     116.5       2.1
     117.0      28.9
     117.5       1.1
     120.0       1.1
     123.0       2.5
     124.0       3.8
     125.0       2.6
     127.0       3.5
     129.0       4.2
     130.0       1.7
     131.0       2.8
     133.0       2.0
     139.0      17.6
     140.0       1.1
     141.0      16.9
     142.0       1.0
     149.5       1.2
     150.5       1.2
     151.0      79.0
     152.0       5.4
     153.0      78.8
     154.0       5.5
     154.5       5.9
     155.0       1.3
     155.5      17.1
     156.0       1.2
     156.5      15.5
     157.0       1.9
     157.5       5.4
     158.0       1.2
     160.0       1.8
     167.0       2.2
     169.0       2.0
     171.0       3.5
     173.0       3.7
     177.5       1.1
     178.5       1.1
     179.0       6.0
     181.0       5.6
     183.0       1.4
     184.0       1.3
     185.0       1.3
     189.0       1.5
     190.0       2.1
     191.0       1.3
     194.0       2.2
     195.0       6.0
     196.0       9.7
     197.0       5.5
     198.0       2.2
     202.0       2.7
     203.0       9.7
     204.0      14.4
     204.5       1.0
     205.0       9.0
     206.0       4.2
     208.0       3.6
     210.0       1.9
     217.0       2.1
     218.0       7.6
     219.0       2.3
     220.0       9.4
     222.0       4.4
     230.0      52.0
     231.0       3.6
     232.0     100.0
     233.0       6.7
     234.0      48.1
     235.0       3.3
     246.0       1.5
     248.0       2.8
     250.0       1.4
     297.0       1.1
     299.0       3.0
     301.0       3.0
     309.0       7.8
     311.0      22.3
     312.0       1.5
     313.0      20.6
     314.0       1.4
     315.0       7.1
     327.0       1.0
     329.0       1.0
     337.0       3.1
     339.0       9.1
     341.0       9.0
     343.0       2.8
     355.0       1.7
     357.0       1.6
     388.0       2.4
     390.0       8.2
     392.0      12.0
     394.0       7.4
     396.0       2.0
     406.0       2.0
     408.0       2.8
     410.0       1.8
     416.0       2.6
     418.0       8.8
     420.0      13.9
     421.0       1.1
     422.0       8.3
     424.0       2.2
     432.0       3.3
     434.0      11.6
     435.0       1.1
     436.0      16.7
     437.0       1.4
     438.0      11.0
     440.0       2.7
     496.0       3.4
     498.0      11.5
     499.0       1.3
     500.0      17.1
     501.0       1.5
     502.0      12.0
     503.0       1.1
     504.0       3.1

D2O

in DMSO-d6