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4408-64-4

N-甲基亞氨二乙酸(4408-64-4)Raman光譜

產(chǎn)品名稱:N-甲基亞氨二乙酸

CAS:4408-64-4

分子式:C5H9NO4

分子量: 147.13

InChI:InChI=1S/C5H9NO4/c1-6(2-4(7)8)3-5(9)10/h2-3H2,1H3,(H,7,8)(H,9,10)

InChIKey: XWSGEVNYFYKXCP-UHFFFAOYSA-N

Smiles:C(O)(=O)CN(CC(O)=O)C

  • 圖譜
    Mass 

    MS-IW-6431          
methyliminodiacetic acid
C5H9NO4             (Mass of molecular ion:    147)


       Source Temperature: 160 °C
   Sample Temperature: 180 °C
   Direct, 75 eV


          14.0       1.7
      15.0       5.9
      17.0       1.5
      18.0       7.1
      26.0       1.3
      27.0       4.4
      28.0      19.6
      29.0       2.9
      30.0       2.4
      31.0       3.1
      39.0       1.2
      40.0       3.8
      41.0       8.1
      42.0      39.7
      43.0       6.2
      44.0      51.5
      45.0       3.4
      56.0       1.5
      57.0      11.7
      58.0      10.3
      59.0       1.2
      60.0       2.3
      73.0       1.3
      74.0      30.1
      75.0       1.1
      86.0       1.2
      88.0       3.2
     101.0       2.5
     102.0     100.0
     103.0       5.1
     129.0       1.1
     147.0      10.3

400 MHz in D2O

  • 圖譜

    1H NMR 399.65 MHz
    C5 H9 N O4 0.038 g : 0.5 ml D2O
    methyliminodiacetic acid
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             4.009
      B             3.023
     
     SOLVENT PEAK REMOVED
  

         Hz     ppm     Int.


       1602.42   4.010    730
   1208.25   3.024   1000

  • 圖譜

KBr disc

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nujol mull

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