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625-52-5

N-乙基脲(625-52-5)質(zhì)譜(MS)

產(chǎn)品名稱:N-乙基脲

CAS:625-52-5

分子式:C3H8N2O

分子量: 88.11

InChI:InChI=1S/C3H8N2O/c1-2-5-3(4)6/h2H2,1H3,(H3,4,5,6)

InChIKey: RYECOJGRJDOGPP-UHFFFAOYSA-N

Smiles:N(CC)C(N)=O

  • 圖譜
    Mass 

    MS-NW-0238          
ethylurea
C3H8N2O             (Mass of molecular ion:     88)


       Source Temperature: 280 °C
   Sample Temperature:   0 °C
   Direct, 75 eV


          15.0       4.8
      16.0       2.2
      17.0       5.4
      18.0      10.1
      26.0       2.3
      27.0      10.3
      28.0      17.6
      29.0      12.0
      30.0     100.0
      31.0       2.2
      40.0       1.0
      41.0       3.0
      42.0       3.9
      43.0      10.2
      43.5       4.5
      44.5      44.0
      45.0       1.4
      56.0       2.3
      60.0       4.3
      72.0       1.3
      73.0      43.5
      74.0       1.1
      88.0      66.3
      89.0       3.4

400 MHz in DMSO-d6

  • 圖譜

    1H NMR 399.65 MHz
    C3 H8 N2 O 0.040 g : 0.5 ml DMSO-d6
    ethylurea
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             5.92
      B             5.45
      C             2.97
      D             0.976
  

         Hz     ppm     Int.


       2368.29   5.926     67
   2178.47   5.451    145
   1202.27   3.009     86
   1196.53   2.994    110
   1195.07   2.991    259
   1189.45   2.977    272
   1187.87   2.973    267
   1182.25   2.959    255
   1180.79   2.955    105
   1175.05   2.941     82
    396.97   0.994    527
    389.89   0.976   1000
    382.69   0.958    482

in DMSO-d6

in D2O

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KBr disc

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nujol mull

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