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5893-10-7

N-甲酰基-DL-丙氨酸(5893-10-7)Raman光谱

分子式:C4H7NO3

分子量: 117.1

InChI:InChI=1S/C4H7NO3/c1-3(4(7)8)5-2-6/h2-3H,1H3,(H,5,6)(H,7,8)/t3-/m0/s1

InChIKey: SRBATDDRZARFDZ-VKHMYHEASA-N

Smiles:C(O)(=O)[C@H](C)NC=O

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    Mass

    MS-NW-5323          
    N-formyl-DL-alanine
    C4H7NO3             (Mass of molecular ion:    117)
    

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

          12.0       1.0
          14.0       1.9
          15.0      10.5
          17.0       1.5
          18.0      27.0
          25.0       1.6
          26.0       9.3
          27.0      17.4
          28.0      44.6
          29.0      15.0
          30.0       1.5
          38.0       1.4
          39.0       2.0
          40.0       5.0
          41.0       6.9
          42.0      30.0
          43.0       8.7
          44.0     100.0
          45.0      10.5
          46.0       6.0
          51.0       2.0
          52.0       3.3
          53.0       2.6
          54.0       3.0
          55.0       4.5
          56.0       1.7
          58.0       2.7
          70.0       1.1
          71.0       3.8
          72.0      60.9
          73.0       7.9
          74.0       2.5
         117.0       3.1
    

in D2O

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KBr disc

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nujol mull

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4880 A,200 M,powder

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