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返回ChemicalBook首页>CAS数据库列表>5893-05-0更多图谱> N-(三苯甲基)甘氨酸(5893-05-0)核磁图(13CNMR)

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

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    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

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

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KBr disc

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nujol mull

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