17929-90-7

DL-氨基己内酰胺(17929-90-7)核磁图(¹³CNMR)

产品名称:DL-氨基己内酰胺

CAS:17929-90-7

分子式:C6H12N2O

分子量: 128.17

InChI:InChI=1S/C6H12N2O/c7-5-3-1-2-4-8-6(5)9/h5H,1-4,7H2,(H,8,9)

InChIKey: BOWUOGIPSRVRSJ-UHFFFAOYSA-N

Smiles:C1(N)CCCCNC1=O

Mass

MS-NW-7881          
DL-alpha-amino-epsilon-caprolactam
C6H12N2O            (Mass of molecular ion:    128)

   Source Temperature: 150 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      15.0       3.3
      17.0       2.0
      18.0       9.8
      26.0       1.1
      27.0       8.2
      28.0      29.0
      29.0      12.0
      30.0      40.5
      31.0       1.0
      39.0       6.8
      40.0       1.6
      41.0      10.9
      42.0      14.0
      43.0      59.1
      44.0      17.0
      45.0       2.1
      53.0       1.8
      54.0       4.3
      55.0       5.2
      56.0     100.0
      57.0      18.3
      58.0       7.0
      59.0       1.5
      66.0       1.2
      67.0       1.9
      68.0       2.8
      69.0       1.8
      70.0      16.6
      71.0      16.3
      72.0      24.9
      73.0       1.6
      81.0       3.1
      82.0      28.7
      83.0      72.6
      84.0      11.1
      85.0       1.4
      99.0      12.1
     100.0       6.0
     110.0       8.2
     111.0      15.1
     112.0       1.2
     128.0      11.1
     129.0       1.7

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₆ H₁₂ N₂ O	0.034 g : 0.5 ml DMSO-d₆
DL-alpha-amino-epsilon-caprolactam

    Assign.     Shift(ppm)

      A             7.62
      B             3.435
      C             3.05
      D             2.92
      E             1.83
      F             1.69
      G             1.65
      J             1.56
      K             1.323
      L             1.166
     
     ASSIGNED BY CH-COSY

     Hz     ppm     Int.

   3043.70   7.616    367
   1385.99   3.469     44
   1378.42   3.450    693
   1377.69   3.448    693
   1372.80   3.436    114
   1367.68   3.423    696
   1249.27   3.126    176
   1248.41   3.124    193
   1244.38   3.114    199
   1243.29   3.111    215
   1237.55   3.097    205
   1233.89   3.088    553
   1229.37   3.077    496
   1228.76   3.075    509
   1224.61   3.065    749
   1223.14   3.061    741
   1219.48   3.052    914
   1217.65   3.047    852
   1214.23   3.039    533
   1213.01   3.036    538
   1211.18   3.031    441
   1209.23   3.026    476
   1208.50   3.024    468
   1167.85   2.923   1000
    748.05   1.872     46
    742.80   1.859    256
    739.38   1.851    389
    735.84   1.842    323
    732.54   1.833    230
    730.10   1.827    341
    729.49   1.826    341
    725.95   1.817    530
    722.17   1.808    399
    718.75   1.799    153
    689.94   1.727    162
    685.91   1.717    355
    682.13   1.707    366
    676.27   1.693    499
    672.24   1.683    763
    668.95   1.674    626
    667.72   1.671    603
    663.82   1.662    448
    662.72   1.659    434
    661.25   1.655    456
    659.18   1.650    469
    656.13   1.642    598
    653.08   1.635    289
    650.39   1.628     97
    649.66   1.626     98
    649.29   1.625     97
    648.32   1.623     88
    645.02   1.614    399
    641.36   1.605    529
    637.82   1.596    247
    631.47   1.581    337
    627.93   1.572    498
    625.24   1.565    240
    624.51   1.563    244
    621.09   1.555     58
    618.77   1.549    169
    615.23   1.540    247
    611.69   1.531    128
    547.12   1.369    314
    543.70   1.361    216
    536.01   1.342    355
    534.42   1.338    447
    533.57   1.336    475
    531.49   1.330    431
    530.64   1.328    404
    526.98   1.319     57
    526.49   1.318     59
    522.71   1.308    398
    520.75   1.304    487
    519.53   1.300    433
    512.57   1.283     46
    510.01   1.277    230
    507.32   1.270    135
    486.94   1.219    138
    483.76   1.211    211
    480.59   1.203    136
    480.35   1.202    136
    476.32   1.192    163
    473.02   1.184    368
    471.56   1.180    351
    469.60   1.176    378
    466.43   1.168    162
    462.77   1.158    215
    460.45   1.153    372
    457.40   1.145    348
    454.47   1.138    143
    451.90   1.131     59
    450.20   1.127    123
    446.90   1.119    179
    444.70   1.113     71
    443.73   1.111     89

in DMSO-d6