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2078-71-9

β-羥乙基脲(2078-71-9)質(zhì)譜(MS)

產(chǎn)品名稱:β-羥乙基脲

CAS:2078-71-9

分子式:C3H8N2O2

分子量: 104.11

InChI:InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)

InChIKey: CLAHOZSYMRNIPY-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-IW-8595          
(2-hydroxyethyl)urea
C3H8N2O2            (Mass of molecular ion:    104)


       Source Temperature: 180 °C
   Sample Temperature: 150 °C
   Direct, 75 eV


          15.0       4.2
      16.0       2.0
      17.0       3.8
      18.0       6.3
      19.0       1.0
      27.0       3.8
      28.0      15.1
      29.0       9.0
      30.0      90.6
      31.0      13.2
      41.0       2.1
      42.0      15.5
      43.0      19.6
      44.0      27.5
      45.0       4.1
      56.0       2.8
      59.0       3.3
      60.0       5.0
      61.0       8.4
      62.0       1.7
      70.0       1.2
      73.0      60.9
      74.0     100.0
      75.0       3.2
      85.0       3.2
      86.0       9.1
      87.0       5.2
     105.0       2.6

400 MHz in DMSO-d6

  • 圖譜

    1H NMR 399.65 MHz
    C3 H8 N2 O2 0.041 g : 0.5 ml DMSO-d6
    (2-hydroxyethyl)urea
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             6.02
      B             5.54
      C             4.72
      D             3.370
      E             3.030
  

         Hz     ppm     Int.


       2406.01   6.021    200
   2214.84   5.542    538
   1891.24   4.733    394
   1886.11   4.720    839
   1880.86   4.707    409
   1355.47   3.392    351
   1349.73   3.378    887
   1344.36   3.364    917
   1338.62   3.350    405
   1219.60   3.052    384
   1213.87   3.038   1000
   1208.13   3.023    946
   1202.27   3.009    326

in DMSO-d6

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

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