32513-92-1

Α,Ε-二苯甲酰-DL-赖氨酸(32513-92-1)红外图谱(IR1)

分子式:C20H22N2O4

分子量: 354.4

InChI:InChI=1S/C20H22N2O4/c23-18(15-9-3-1-4-10-15)21-14-8-7-13-17(20(25)26)22-19(24)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14H2,(H,21,23)(H,22,24)(H,25,26)/t17-/m0/s1

InChIKey: WZWYZPFOTAVDKN-KRWDZBQOSA-N

Smiles:C(O)(=O)[C@H](CCCCNC(=O)C1=CC=CC=C1)NC(=O)C1=CC=CC=C1

Mass

MS-NW-2503          
dibenzoyl-DL-lysine
C20H22N2O4          (Mass of molecular ion:    354)

   Source Temperature: 230 °C
   Sample Temperature: 200 °C
   Direct, 75 eV

      18.0       4.1
      27.0       1.0
      28.0       1.8
      44.0       1.9
      50.0       1.5
      51.0       5.4
      56.0       1.0
      76.0       1.6
      77.0      28.8
      78.0       2.6
      82.0       3.4
      84.0       1.7
     103.0       2.2
     104.0       2.5
     105.0     100.0
     106.0       8.2
     122.0       3.4
     128.0       1.4
     134.0       3.5
     135.0       2.3
     147.0       1.7
     148.0       2.8
     149.0       1.1
     158.0       1.6
     161.0       1.7
     162.0       3.1
     163.0       3.1
     174.0       2.4
     176.0       5.0
     187.0       3.1
     188.0       7.2
     189.0       1.3
     200.0       1.3
     203.0       6.9
     204.0       1.2
     213.0       1.2
     232.0       1.6
     249.0       2.4
     336.0       1.7

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₂₀ H₂₂ N₂ O₄	0.039 g : 0.5 ml DMSO-d₆
dibenzoyl-DL-lysine

    Assign.     Shift(ppm)

      A            12.6
      B             8.62
      C             8.51
      D     *1      7.906
      E     *1      7.841
      F     *2      7.55
      G     *2      7.52
      J     *3      7.47
      K     *3      7.45
      L             4.397
      M             3.286
      N             1.865
      P             1.58
      Q             1.46

     Hz     ppm     Int.

   5047.61  12.631     72
   3448.00   8.628    384
   3440.43   8.609    388
   3404.79   8.520    172
   3399.17   8.506    330
   3393.55   8.492    167
   3163.57   7.916    752
   3156.49   7.899    830
   3155.03   7.895    671
   3137.21   7.850    757
   3131.84   7.837    255
   3130.13   7.833    827
   3128.42   7.828    668
   3025.63   7.571    163
   3024.66   7.569    121
   3020.51   7.558    144
   3018.31   7.553    476
   3016.60   7.549    190
   3010.99   7.535    494
   3010.01   7.532    332
   3006.35   7.523    156
   3003.91   7.517    510
   3001.95   7.512    203
   2997.80   7.502    307
   2996.58   7.499    473
   2995.12   7.495    421
   2993.65   7.491    680
   2985.84   7.472   1000
   2983.64   7.466    829
   2980.22   7.458    277
   2978.52   7.453    501
   2977.29   7.450    669
   2975.83   7.447    915
   2970.21   7.433    164
   2968.51   7.428    342
   1768.80   4.426    110
   1763.18   4.412    138
   1759.77   4.404    192
   1754.39   4.390    174
   1752.20   4.385    158
   1749.27   4.378     55
   1746.58   4.371    109
   1323.24   3.311    189
   1316.65   3.295    446
   1310.55   3.280    440
   1303.96   3.263    187
    758.79   1.899    118
    750.98   1.880    225
    745.61   1.866    281
    740.23   1.853    220
    642.09   1.607    153
    634.52   1.588    255
    627.20   1.570    281
    620.61   1.553    208
    613.77   1.536    121
    602.54   1.508    115
    597.66   1.496    130
    596.19   1.492    126
    594.73   1.489    136
    593.99   1.487    135
    593.26   1.485    135
    589.11   1.475    170
    586.43   1.468    138
    583.01   1.459    188
    578.86   1.449    128
    575.20   1.440    170
    568.60   1.423    118

in DMSO-d6