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OROTIC ACID MONOHYDRATE

Product Name OROTIC ACID MONOHYDRATE

CAS50887-69-9

MFC5H6N2O5

MW174.11

Mass

MS-NW-0423          
2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid
C5H4N2O4 H2O        (Mass of molecular ion:    156)

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

      18.0       1.5
      27.0       1.1
      28.0       4.7
      29.0       1.3
      38.0       2.0
      39.0       6.1
      40.0      21.3
      41.0       4.3
      42.0       2.2
      43.0       2.2
      44.0       4.1
      45.0       3.5
      53.0       2.7
      55.0       1.0
      67.0       6.2
      68.0     100.0
      69.0      16.9
      70.0       2.6
      85.0       1.3
     105.0       1.2
     112.0       2.5
     113.0       9.5
     114.0       1.0
     139.0       1.0
     156.0      64.3
     157.0       4.3

90 MHz in DMSO-d6

¹H NMR	89.56 MHz
C₅ H₄ N₂ O₄	0.044 g : 0.5 ml DMSO-d₆
2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid

    Assign.     Shift(ppm)

      A     *1     11.32
      B     *1     10.84
      C     *1      6.9
      D             6.042
     
     PEAK C INCLUDES H2O.

     Hz     ppm     Int.

   1013.51  11.317    313
    970.96  10.842    394
    620.96   6.934    321
    541.24   6.044   1000

KBr disc

nujol mull

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