已酰胺(628-02-4)核磁圖(¹³CNMR)

產(chǎn)品名稱:已酰胺

CAS:628-02-4

分子式:C6H13NO

分子量: 115.17

InChI:InChI=1S/C6H13NO/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H2,7,8)

InChIKey: ALBYIUDWACNRRB-UHFFFAOYSA-N

Smiles:C(N)(=O)CCCCC

Mass

MS-NW-1281          
hexanamide
C6H13NO             (Mass of molecular ion:    115)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      18.0       2.1
      27.0       8.7
      28.0       1.8
      29.0       8.4
      39.0       5.5
      41.0      11.6
      42.0       3.7
      43.0      25.8
      44.0      28.5
      45.0       1.4
      55.0       4.5
      57.0       1.6
      59.0     100.0
      60.0       3.3
      71.0       2.4
      72.0      18.7
      73.0       4.3
      86.0       9.3
      99.0       1.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₃ N O	0.046 g : 0.5 ml CDCl₃
hexanamide

    Assign.     Shift(ppm)

      A     *1      6.3
      B     *1      5.9
      C             2.20
      D             1.63
      E             1.33
      F             0.91

     Hz     ppm     Int.

    206.44   2.306    166
    205.13   2.291    193
    198.75   2.220    494
    190.75   2.130    491
    153.63   1.716    145
    153.31   1.712    145
    152.00   1.698    141
    146.94   1.641    187
    145.69   1.627    183
    145.00   1.620    170
    144.31   1.612    185
    140.38   1.568    146
    138.88   1.551    182
    138.06   1.542    149
    137.75   1.539    150
    137.38   1.534    151
    132.13   1.476    135
    131.31   1.467    140
    128.25   1.433    140
    127.75   1.427    143
    127.38   1.423    146
    126.44   1.412    177
    123.56   1.380    560
    120.75   1.349    453
    119.81   1.338    386
    119.31   1.333    378
    118.44   1.323    392
    116.44   1.301    494
    114.56   1.280    297
    113.44   1.267    274
    113.00   1.262    272
    109.44   1.222    230
     86.69   0.968    305
     85.88   0.959    339
     84.13   0.940    220
     80.31   0.897   1000
     77.06   0.861    146
     74.38   0.831    226
     73.06   0.816    142

in CDCl3