146039-03-4

N-(二乙基氨基甲酰)-N-甲氧甲酰胺[選擇性甲酰化試劑](146039-03-4)紅外圖譜(IR1)

產(chǎn)品名稱:N-(二乙基氨基甲酰)-N-甲氧甲酰胺[選擇性甲酰化試劑]

CAS:146039-03-4

分子式:C7H14N2O3

分子量: 174.2

InChI:InChI=1S/C7H14N2O3/c1-4-8(5-2)7(11)9(6-10)12-3/h6H,4-5H2,1-3H3

InChIKey: ABUWPGZRKFDPIX-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-7545          
N,N-diethyl-N'-formyl-N'-methoxyurea
C7H14N2O3           (Mass of molecular ion:    174)

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

      15.0       2.0
      18.0       1.6
      27.0       6.2
      28.0       8.1
      29.0      27.3
      30.0       4.3
      31.0       2.4
      32.0       1.6
      41.0       1.4
      42.0       8.1
      43.0       3.2
      44.0      25.7
      47.0       1.5
      55.0       1.8
      56.0       6.3
      57.0       1.4
      58.0       7.4
      70.0       4.3
      71.0       3.3
      72.0      75.5
      73.0       3.3
      99.0       2.2
     100.0     100.0
     101.0       6.9
     116.0       2.1
     127.0       1.7
     131.0       1.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₁₄ N₂ O₃	0.05 ml : 0.5 ml CDCl₃
N,N-diethyl-N'-formyl-N'-methoxyurea

    Assign.     Shift(ppm)

      A             8.810
      B             8.158
      C             3.843
      D             3.697
      E             3.392
      F             3.272
      G             1.231
      J             1.158
     
     STABLE CONFORER IS UNCERTAIN.

     Hz     ppm     Int.

   3520.97   8.811    283
   3260.65   8.159    101
   1535.95   3.844   1000
   1477.81   3.698    287
   1366.58   3.420    147
   1359.56   3.402    453
   1352.39   3.384    474
   1345.37   3.367    167
   1318.82   3.300     25
   1311.65   3.282     83
   1304.47   3.265     84
   1297.45   3.247     27
    499.27   1.250    491
    492.10   1.232    885
    485.08   1.214    521
    479.89   1.201     22
    470.12   1.177    101
    462.95   1.159    211
    455.78   1.141     97

in CDCl3