Ethylurea(625-52-5) ¹³C NMR

Product NameEthylurea

CAS 625-52-5

Molecular FormulaC3H8N2O

Molecular Weight88.11

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

InChIKey RYECOJGRJDOGPP-UHFFFAOYSA-N

SmilesN(CC)C(N)=O

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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

¹H NMR	399.65 MHz
C₃ H₈ N₂ O	0.040 g : 0.5 ml DMSO-d₆
ethylurea

    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