5893-05-0

N-(三苯甲基)甘氨酸(5893-05-0)核磁图(¹³CNMR)

分子式:C21H19NO2

分子量: 317.38

InChI:InChI=1S/C21H19NO2/c23-20(24)16-22-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,22H,16H2,(H,23,24)

InChIKey: XUXRXWLKUYPGMZ-UHFFFAOYSA-N

Smiles:C(O)(=O)CNC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

Mass

MS-IW-3633          
n-(triphenylmethyl)glycine
C21H19NO2           (Mass of molecular ion:    317)

   Source Temperature: 150 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      18.0       1.8
      28.0       1.7
      30.0       3.9
      39.0       1.2
      44.0       2.0
      51.0       2.4
      63.0       1.3
      65.0       1.5
      75.0       1.0
      77.0       6.0
      89.0       1.2
      91.0      37.1
      92.0       2.8
      94.5       1.5
     101.0       1.7
     104.0       9.8
     105.0       3.1
     106.5       1.6
     107.5       2.2
     113.0       2.5
     114.0       1.5
     115.0       3.1
     116.0       1.7
     118.5       1.2
     119.0       1.5
     119.5       3.9
     120.0       2.5
     120.5       1.0
     121.5       1.3
     139.0       2.0
     152.0       2.7
     154.0       1.1
     163.0       3.6
     164.0       3.2
     165.0      50.3
     166.0      10.7
     167.0       8.0
     168.0       1.0
     180.0       2.0
     182.0       4.0
     183.0       1.6
     189.0       1.1
     194.0       3.8
     202.0       2.3
     213.0       1.2
     215.0       4.2
     216.0       1.0
     226.0       2.6
     227.0       1.8
     228.0       6.2
     229.0       1.7
     237.0       1.1
     239.0       8.3
     240.0     100.0
     241.0      27.3
     242.0      11.4
     243.0      79.9
     244.0      27.1
     245.0       3.8
     257.0       1.1
     258.0      13.4
     259.0       3.0
     317.0       6.6
     318.0       1.5

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₂₁ H₁₉ N O₂	0.050 g : 0.5 ml DMSO-d₆
N-(triphenylmethyl)glycine

    Assign.     Shift(ppm)

      A             7.412
      B             7.307
      C             7.211
      D             3.6
      E             2.894

     Hz     ppm     Int.

   2968.26   7.428    568
   2966.92   7.424    760
   2959.72   7.406   1000
   2958.74   7.404    949
   2948.00   7.377     30
   2928.47   7.328    590
   2926.64   7.324    223
   2921.02   7.309    994
   2913.09   7.290    597
   2888.06   7.227    390
   2886.84   7.224    260
   2882.69   7.214    181
   2880.74   7.209    534
   2878.78   7.204    178
   2874.63   7.193    130
   2873.54   7.191    204
   2872.31   7.188    126
   1156.86   2.895    743

in DMSO-d6