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2749-11-3

L-氨基丙醇(2749-11-3)質(zhì)譜(MS)

產(chǎn)品名稱:L-氨基丙醇

CAS:2749-11-3

分子式:C3H9NO

分子量: 75.11

InChI:InChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3/t3-/m0/s1

InChIKey: BKMMTJMQCTUHRP-VKHMYHEASA-N

Smiles:C(O)[C@@H](N)C

  • 圖譜
    Mass 

    MS-NW-6786          
L-2-amino-1-propanol
C3H9NO              (Mass of molecular ion:     75)


       Source Temperature: 240 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV


          15.0       3.8
      17.0       1.2
      18.0      16.3
      26.0       1.1
      27.0       4.6
      28.0       8.5
      29.0       2.8
      30.0       4.5
      31.0       3.9
      39.0       1.7
      40.0       1.6
      41.0       4.4
      42.0      14.3
      43.0       4.1
      44.0     100.0
      45.0       3.5
      56.0       4.0
      57.0       2.4
      58.0       3.4
      60.0       3.4

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C3 H9 N O 0.04 ml : 0.5 ml CDCl3
    L-2-amino-1-propanol
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A     *1      3.53
      B     *1      3.24
      C             3.00
      D             2.53
      E             1.048
     
     J(A,B)=-10.3 HZ.
     J(A,C)=4.0 HZ.
     J(B,C)=7.4 HZ..
     J(C,E)=6.3 HZ.
     CALCULATED BY LAOCN PROGRAM.
  

         Hz     ppm     Int.


        324.00   3.618     74
    320.00   3.574    144
    313.69   3.503    246
    311.00   3.473     38
    309.75   3.459    176
    298.75   3.336    229
    291.31   3.253    339
    288.44   3.221     39
    282.50   3.155     64
    281.13   3.140    136
    279.94   3.126     37
    277.31   3.097     90
    273.63   3.056     65
    271.25   3.029     83
    269.88   3.014     36
    267.31   2.985     69
    266.19   2.973     40
    265.13   2.961     34
    263.81   2.946     48
    259.88   2.902     41
    226.69   2.532   1000
     96.94   1.083    950
     90.63   1.012    864
     89.00   0.994     59

in CDCl3

  • 圖譜

liquid film

  • 圖譜

  • 圖譜

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