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1138-80-3

N-苄氧羰基-甘氨酸(1138-80-3)红外图谱(IR1)

分子式:C10H11NO4

分子量: 209.2

InChI:InChI=1S/C10H11NO4/c12-9(13)6-11-10(14)15-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)

InChIKey: CJUMAFVKTCBCJK-UHFFFAOYSA-N

Smiles:C(O)(=O)CNC(OCC1=CC=CC=C1)=O

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    Mass

    MS-NW-2471          
    N-(benzyloxycarbonyl)glycine
    C10H11NO4           (Mass of molecular ion:    209)
    

       Source Temperature: 210 °C
       Sample Temperature: 160 °C
       Direct, 75 eV
    

          14.0       1.6
          16.0       1.1
          17.0       3.5
          18.0      18.0
          26.0       2.4
          27.0      14.1
          28.0      28.0
          29.0      38.6
          30.0       4.4
          31.0       3.9
          37.0       1.9
          38.0       3.9
          39.0      13.7
          40.0       1.3
          41.0       2.3
          42.0       2.6
          43.0       2.6
          44.0      23.6
          45.0       3.3
          49.0       1.3
          50.0      10.9
          51.0      23.5
          52.0       7.0
          53.0       5.0
          53.5       1.6
          54.0       1.3
          55.0       1.2
          56.0       7.5
          57.0      15.1
          61.0       1.5
          62.0       3.3
          63.0       6.9
          64.0       2.0
          65.0      13.1
          66.0       1.0
          74.0       4.1
          75.0       2.1
          76.0       1.8
          77.0      50.2
          78.0      12.4
          79.0      99.8
          80.0      10.0
          89.0       8.5
          90.0      12.1
          91.0      46.1
          92.0       5.8
         101.0      10.6
         105.0       6.8
         106.0       3.9
         107.0      67.7
         108.0     100.0
         109.0       8.2
         209.0       1.7
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C10 H11 N O4 0.041 g : 0.5 ml DMSO-d6
    N-(benzyloxycarbonyl)glycine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.6 B 7.58 C 7.37 to 7.32 D 5.047 E 3.684 J(B,E)=6.2HZ

         Hz     ppm     Int.
    

       3033.42   7.591     60
       3027.38   7.576    113
       3021.33   7.560     63
       2954.29   7.393     55
       2952.46   7.388     52
       2946.60   7.373    266
       2944.58   7.368    335
       2941.10   7.360   1000
       2936.34   7.348    188
       2931.58   7.336    153
       2929.20   7.330    142
       2927.73   7.326    134
       2924.07   7.317    101
       2923.15   7.315    111
       2921.51   7.311     88
       2918.57   7.303     61
       2917.84   7.301     59
       2914.73   7.294     35
       2017.40   5.048    810
       1475.77   3.693    370
       1469.54   3.678    381
    

KBr disc

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nujol mull

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