3551-55-1

2,4-二甲氧基嘧啶(3551-55-1)质谱(MS)

产品名称:2,4-二甲氧基嘧啶

CAS:3551-55-1

分子式:C6H8N2O2

分子量: 140.14

InChI:InChI=1S/C6H8N2O2/c1-9-5-3-4-7-6(8-5)10-2/h3-4H,1-2H3

InChIKey: KEVRHVMWBKFGLO-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-7193          
2,4-dimethoxypyrimidine
C6H8N2O2            (Mass of molecular ion:    140)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0      12.5
      26.0       2.8
      27.0       4.3
      28.0      10.4
      29.0       3.2
      30.0       1.4
      38.0       1.4
      39.0       5.6
      40.0      13.2
      41.0       4.8
      42.0      24.2
      43.0       2.3
      44.0       1.5
      51.0       2.0
      52.0       4.9
      53.0      14.2
      54.0       5.5
      55.0       5.9
      56.0       9.3
      57.0       1.0
      58.0       2.1
      65.0       1.1
      66.0       2.9
      67.0       8.1
      68.0       9.9
      69.0       9.8
      70.0       8.0
      79.0       3.4
      80.0       8.9
      81.0       9.7
      82.0      12.9
      83.0       3.8
      93.0       1.3
      94.0       3.0
      95.0      44.2
      96.0       3.2
      97.0       2.3
     109.0       6.6
     110.0      89.5
     111.0      15.6
     112.0       1.1
     122.0       1.0
     125.0      14.9
     126.0       1.1
     139.0      60.3
     140.0     100.0
     141.0      10.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₈ N₂ O₂	0.05 ml : 0.5 ml CDCl₃
2,4-dimethoxypyrimidine

    Assign.     Shift(ppm)

      A             8.190
      B             6.377
      C     *1      3.995
      D     *1      3.966

     Hz     ppm     Int.

   3276.00   8.198    264
   3270.26   8.183    264
   2551.39   6.385    380
   2545.65   6.370    375
   1596.80   3.996   1000
   1585.33   3.967    997

in CDCl3