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66-22-8

尿嘧啶(66-22-8)紅外圖譜(IR1)

產(chǎn)品名稱:尿嘧啶

CAS:66-22-8

分子式:C4H4N2O2

分子量: 112.09

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

InChIKey: ISAKRJDGNUQOIC-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-NW-8156          
uracil
C4H4N2O2            (Mass of molecular ion:    112)


       Source Temperature: 190 °C
   Sample Temperature: 150 °C
   Direct, 75 eV


          14.0       1.4
      17.0       2.3
      18.0      12.3
      26.0       3.2
      27.0       2.9
      28.0      34.1
      29.0       2.0
      38.0       2.3
      39.0       4.6
      40.0      16.9
      41.0      18.8
      42.0      47.2
      43.0       4.7
      44.0       4.0
      53.0       1.2
      56.0       1.1
      67.0       1.9
      68.0      15.2
      69.0      64.9
      70.0       6.5
     112.0     100.0
     113.0       5.5

400 MHz in DMSO-d6

  • 圖譜

    1H NMR 399.65 MHz
    C4 H4 N2 O2 saturated in DMSO-d6
    uracil
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A            11.02
      B            10.82
      C             7.406
      D             5.473
     
     J(C,D)=7.5HZ, J(B,C)=5.7HZ
  

         Hz     ppm     Int.


       4404.75  11.022    492
   4324.19  10.820    369
   2971.04   7.435     40
   2966.46   7.423    859
   2960.82   7.409    887
   2958.98   7.404   1000
   2953.19   7.390    880
   2192.69   5.487    521
   2191.31   5.484    770
   2189.79   5.480    672
   2185.06   5.468    536
   2183.53   5.464    770
   2182.16   5.461    658
   2174.53   5.442     23

in DMSO-d6

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

  • 圖譜

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