5-BROMOOROTIC ACID(15018-62-9) IR1

Product Name5-BROMOOROTIC ACID

CAS 15018-62-9

Molecular FormulaC5H3BrN2O4

Molecular Weight234.99

InChIInChI=1S/C5H3BrN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12)

InChIKey YQYHIPBLZSIHDI-UHFFFAOYSA-N

SmilesC1(=O)NC(=O)C(Br)=C(C(O)=O)N1

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IR1

IR2

Mass

MS-NW-7059          
5-bromo-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid
C5H3BrN2O4          (Mass of molecular ion:    234)

   Source Temperature: 200 °C
   Sample Temperature: 260 °C
   Direct, 75 eV

      12.0       2.2
      16.0       3.1
      17.0       2.2
      18.0       9.3
      25.0       1.8
      27.0       3.9
      28.0      36.4
      29.0       1.9
      38.0       7.3
      39.0      10.0
      40.0      20.0
      41.0       4.3
      42.0       3.0
      43.0       6.7
      44.0     100.0
      45.0       2.3
      51.0       1.6
      52.0       1.0
      53.0       4.9
      54.0       1.5
      55.0       1.7
      67.0       5.6
      68.0       9.8
      69.0       2.0
      70.0       3.9
      79.0       3.0
      80.0       4.5
      81.0       2.9
      82.0       4.5
      91.0       5.0
      92.0       7.3
      93.0       4.8
      94.0       7.2
     104.0       4.7
     106.0       5.0
     111.0       2.1
     112.0       1.5
     117.0       1.4
     118.0       5.2
     119.0       2.7
     120.0      41.8
     121.0       2.4
     122.0      35.6
     123.0       1.1
     145.0       1.0
     146.0       4.0
     147.0      64.6
     148.0       7.1
     149.0      62.5
     150.0       3.7
     156.0       2.3
     172.0       1.0
     174.0       1.1
     190.0      58.5
     191.0       4.1
     192.0      55.9
     193.0       4.2
     234.0       4.0
     236.0       4.2

KBr disc

nujol mull

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