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65311-06-0

[2-[Benzyl(carboxymethyl)amino]ethylimino]diacetic acid

Product Name [2-[Benzyl(carboxymethyl)amino]ethylimino]diacetic acid

CAS65311-06-0

MFC15H20N2O6

MW324.33

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  • 65311-06-0_ms_1
    Mass

    MS-NW-2338          
    N'-benzylethylenediamine-N,N,N'-triacetic acid
    C15H20N2O6          (Mass of molecular ion:    324)
    

       Source Temperature: 230 °C
       Sample Temperature: 160 °C
       Direct, 75 eV
    

          15.0       3.3
          17.0       2.4
          18.0      11.5
          27.0       2.2
          28.0       5.5
          29.0       1.4
          30.0       2.3
          31.0       1.0
          39.0       3.5
          40.0       1.0
          41.0       4.3
          42.0      26.3
          43.0       3.4
          44.0      11.9
          45.0       1.0
          50.0       1.1
          51.0       2.5
          52.0       1.0
          54.0       1.4
          55.0       2.3
          56.0      12.1
          57.0       2.7
          58.0       4.0
          60.0       1.4
          63.0       2.1
          65.0       8.4
          70.0       3.7
          71.0       1.0
          77.0       3.0
          79.0       3.2
          83.0       1.7
          84.0       1.2
          85.0       1.5
          86.0       1.0
          88.0       2.4
          89.0       2.0
          90.0       1.5
          91.0     100.0
          92.0      10.4
          97.0       1.8
          99.0       2.5
         100.0       1.3
         101.0       3.4
         102.0       1.7
         104.0       1.5
         105.0       1.5
         106.0       1.3
         107.0       2.0
         108.0       5.7
         113.0       1.3
         114.0       1.3
         118.0       1.4
         120.0       2.4
         127.0       1.0
         129.0       1.1
         132.0       1.8
         133.0       1.6
         134.0       7.8
         135.0       1.1
         143.0       8.8
         144.0       1.1
         146.0       2.9
         147.0       1.1
         157.0       3.3
         171.0      15.1
         172.0       3.2
         175.0       1.9
         178.0      24.7
         179.0       3.0
         187.0       1.5
         192.0       1.6
         203.0       2.2
         219.0       1.3
         233.0       1.1
         248.0       1.2
         268.0       9.5
         269.0       1.8
    

400 MHz in DMSO-d6

  • 65311-06-0_1hnmr_0

    1H NMR 399.65 MHz
    C15 H20 N2 O6 0.043 g : 0.5 ml DMSO-d6
    N'-benzylethylenediamine-N,N,N'-triacetic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9. B 7.38 C 7.35 D 7.31 E 3.964 F 3.452 G 3.370 J 2.91

         Hz     ppm     Int.
    

       2957.04   7.400    109
       2955.03   7.395    150
       2948.43   7.378    377
       2947.15   7.375    390
       2945.13   7.370    273
       2938.36   7.353    361
       2930.66   7.334    206
       2928.28   7.328    124
       2926.27   7.323    161
       2924.25   7.318     89
       2922.97   7.314     74
       2919.49   7.306    136
       2916.19   7.297     37
       2914.36   7.293     36
       2912.90   7.289     40
       1584.21   3.964    468
       1379.61   3.453   1000
       1346.82   3.370    489
       1163.11   2.911    360
    

KBr disc

  • 65311-06-0_ir1_2

nujol mull

  • 65311-06-0_ir2_1

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