4559-86-8

四丁基脲(4559-86-8)質(zhì)譜(MS)

產(chǎn)品名稱:四丁基脲

CAS:4559-86-8

分子式:C17H36N2O

分子量: 284.48

InChI:InChI=1S/C17H36N2O/c1-5-9-13-18(14-10-6-2)17(20)19(15-11-7-3)16-12-8-4/h5-16H2,1-4H3

InChIKey: SNDGLCYYBKJSOT-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS2014-05046CW      
tetrabutylurea
C17H36N2O           (Mass of molecular ion:    284)

   Source Temperature: 250 °C
   Sample Temperature: 250 °C
   Reservoir, 70 eV

      27.0       1.9
      28.0      16.4
      29.0      10.2
      30.0       2.7
      32.0       4.0
      39.0       1.2
      41.0      14.4
      42.0       3.7
      43.0       2.8
      44.0       3.3
      55.0       3.5
      56.0       2.8
      57.0      57.4
      58.0       2.7
      70.0       1.3
      72.0       1.4
      84.0       4.0
      86.0      22.2
      87.0       1.3
      99.0       1.3
     100.0      16.6
     101.0       1.1
     112.0       1.0
     114.0       1.0
     128.0      34.0
     129.0       4.6
     130.0       1.4
     155.0       2.7
     156.0     100.0
     157.0      10.0
     185.0       2.9
     227.0       1.5
     228.0       1.6
     241.0       8.4
     242.0       1.4
     284.0       6.6
     285.0       1.3

400 MHz in CDCl3

in CDCl3

¹H NMR	399.65 MHz
C₁₇ H₃₆ N₂ O	0.04 ml : 0.5 ml CDCl₃
tetrabutylurea

    Assign.     Shift(ppm)

      A             3.102
      B             1.479
      C             1.283
      D             0.912

     Hz     ppm     Int.

   1246.95   3.121    273
   1239.50   3.102    290
   1237.55   3.097    136
   1232.06   3.083    266
    606.57   1.518     61
    599.37   1.500    127
    597.05   1.494     95
    593.75   1.486    113
    591.55   1.481    210
    588.75   1.474    104
    585.45   1.465    116
    584.11   1.462    136
    582.15   1.457     95
    576.54   1.443     73
    530.52   1.328     52
    523.07   1.309    147
    515.63   1.291    198
    507.93   1.271    190
    500.61   1.253    122
    493.41   1.235     39
    377.08   0.944     33
    371.58   0.930    545
    364.26   0.912   1000
    356.93   0.894    422