486-67-9

Mersalyl acid(486-67-9) IR1

Molecular FormulaC13H17HgNO6

Molecular Weight483.87

InChIInChI=1S/C13H16NO5.Hg.H2O/c1-9(18-2)7-14-13(17)10-5-3-4-6-11(10)19-8-12(15)16;;/h3-6,9H,1,7-8H2,2H3,(H,14,17)(H,15,16);;1H2/q;+1;/p-1

InChIKey HQRSUIDICNOLPX-UHFFFAOYSA-M

SmilesC1(C=CC=CC=1OCC(=O)O)C(=O)NCC(OC)C[Hg]O

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IR1

IR2

Mersalyl acid(486-67-9) IR1
Mass

MS-NW-7206          
O-(N-(3-hydroxymercurio-2-methoxypropyl)carbamoyl)phenoxyacetic acid
C13H17HgNO6         (Mass of molecular ion:    485)

   Source Temperature: 180 °C
   Sample Temperature: 190 °C
   Direct, 75 eV

      14.0       1.3
      15.0       9.4
      17.0       3.6
      18.0      17.2
      26.0       1.0
      27.0       3.9
      28.0       6.9
      29.0      26.8
      30.0       4.7
      31.0      58.9
      32.0      57.7
      33.0       1.9
      37.0       1.2
      38.0       3.8
      39.0      13.2
      40.0       1.5
      41.0      11.4
      42.0       4.7
      43.0       2.5
      44.0       7.2
      45.0       5.4
      50.0       7.4
      51.0       7.2
      52.0       2.7
      53.0       2.8
      54.0       1.9
      55.0       2.2
      56.0      13.8
      57.0      21.3
      58.0       4.1
      59.0       1.0
      62.0       2.1
      63.0       7.6
      64.0       7.9
      65.0      12.1
      66.0       2.2
      67.0       1.3
      68.0       3.3
      69.0       6.0
      70.0       2.8
      74.0       2.2
      75.0       2.9
      76.0      11.5
      77.0      16.5
      78.0       3.8
      79.0       3.1
      80.0       1.0
      81.0       1.0
      90.0       1.5
      91.0       3.6
      92.0      13.3
      93.0       9.7
      94.0       2.6
      95.0       1.5
      97.0       5.0
      99.0       3.0
      99.5       4.9
     100.0       6.9
     100.5       3.5
     101.0       8.8
     102.0       2.8
     103.0       1.2
     104.0       5.7
     105.0      27.3
     106.0       3.6
     107.0       5.0
     117.0       1.1
     118.0       2.3
     119.0       3.3
     120.0      11.4
     121.0     100.0
     122.0      10.3
     123.0       7.3
     132.0       3.3
     133.0      14.1
     134.0      10.5
     135.0      12.7
     136.0       1.4
     146.0       1.7
     147.0       1.0
     148.0       1.6
     149.0       1.4
     150.0       3.2
     151.0      23.0
     152.0       5.0
     159.0       1.0
     160.0       1.6
     161.0       1.0
     163.0       1.2
     165.0       4.8
     174.0       1.2
     177.0       3.4
     178.0       1.3
     179.0      17.9
     180.0       2.1
     190.0       3.7
     191.0       1.4
     192.0       1.0
     193.0       2.6
     198.0      13.2
     199.0      21.1
     200.0      29.6
     201.0      16.6
     202.0      39.9
     204.0       9.0
     217.0       7.9
     218.0       1.3
     220.0       3.5
     235.0      16.0
     236.0       2.2
     249.0       2.2

KBr disc

nujol mull

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