1193-24-4

4,6-二羟基嘧啶(1193-24-4)红外图谱(IR1)

产品名称:4,6-二羟基嘧啶

CAS:1193-24-4

分子式:C4H4N2O2

分子量: 112.09

InChI:InChI=1S/C4H4N2O2/c7-3-1-4(8)6-2-5-3/h1-2H,(H2,5,6,7,8)

InChIKey: DUFGYCAXVIUXIP-UHFFFAOYSA-N

Smiles:C1=NC(O)=CC(=O)N1

Mass

MS-NW-8117          
4,6-pyrimidinediol
C4H4N2O2            (Mass of molecular ion:    112)

   Source Temperature: 200 °C
   Sample Temperature: 190 °C
   Direct, 75 eV

      13.0       1.0
      14.0       2.2
      17.0       5.1
      18.0       6.0
      27.0       3.7
      28.0      36.9
      29.0      10.2
      38.0       2.6
      39.0       4.5
      40.0       6.0
      41.0      11.5
      42.0      24.3
      43.0       9.5
      44.0      31.3
      45.0       1.7
      51.0       1.0
      52.0       1.1
      55.0       1.2
      56.0       5.0
      57.0       2.4
      59.0       4.1
      67.0       6.1
      68.0      13.5
      69.0      40.3
      70.0       1.7
      71.0      57.9
      72.0       1.6
      84.0      31.2
      85.0       3.1
     112.0     100.0
     113.0       5.7

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₄ H₄ N₂ O₂	saturated in DMSO-d₆
4,6-pyrimidinediol

    Assign.     Shift(ppm)

      A            11.
      B             8.028
      C             5.234

     Hz     ppm     Int.

   4702.43  11.767     32
   3208.16   8.028    770
   2092.49   5.236    873
   2091.76   5.234   1000

in DMSO-d6

KBr disc

nujol mull

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