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107-97-1

肌氨酸(107-97-1)核磁图(1HNMR)

产品名称:肌氨酸

CAS:107-97-1

分子式:C3H7NO2

分子量: 89.09

InChI:InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)

InChIKey: FSYKKLYZXJSNPZ-UHFFFAOYSA-N

Smiles:C(O)(=O)CNC

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    Mass

    MS-NW-3014          
    sarcosine
    C3H7NO2             (Mass of molecular ion:     89)
    

       Source Temperature: 240 °C
       Sample Temperature: 170 °C
       Direct, 75 eV
    

          14.0       1.9
          15.0      10.6
          17.0       1.9
          18.0       9.5
          27.0       2.3
          28.0      14.4
          29.0       1.9
          30.0       6.3
          39.0       1.1
          40.0       2.9
          41.0       4.8
          42.0      31.0
          43.0       9.9
          44.0     100.0
          45.0       2.7
          57.0       1.3
          60.0       1.7
          89.0       8.3
         142.0       1.9
    

parameter in DMSO-d6

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    1H NMR 300 MHz
    C3 H7 N O2 saturated in DMSO-d6
    sarcosine
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 3.086 D(B) 2.444

         Hz     ppm     Int.
    

        925.80   3.086    667
        733.20   2.444   1000
    

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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