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2620-63-5

醋谷胺(2620-63-5)Raman光谱

产品名称:醋谷胺

CAS:2620-63-5

分子式:C4H8N2O2

分子量: 116.12

InChI:InChI=1S/C4H8N2O2/c1-3(7)6-2-4(5)8/h2H2,1H3,(H2,5,8)(H,6,7)

InChIKey: WQELDIQOHGAHEM-UHFFFAOYSA-N

Smiles:C(NCC(N)=O)(=O)C

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    Mass

    MS-IW-0032          
    N(2)-acetylglycinamide
    C4H8N2O2            (Mass of molecular ion:    116)
    

       Source Temperature: 160 °C
       Sample Temperature: 110 °C
       Direct, 75 eV
    

          14.0       1.2
          15.0       7.2
          17.0       1.3
          18.0       7.0
          27.0       1.0
          28.0      11.7
          29.0       3.4
          30.0      81.7
          31.0       9.9
          32.0       1.3
          41.0       1.2
          42.0       6.6
          43.0      68.8
          44.0      13.7
          45.0       2.9
          56.0       3.7
          57.0       1.7
          58.0       5.0
          72.0      42.0
          73.0     100.0
          74.0       5.2
         117.0       1.2
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C4 H8 N2 O2 0.038 g : 0.5 ml DMSO-d6
    N(2)-acetylglycinamide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.04 B *1 7.33 C *1 7.03 D 3.611 E 1.853

         Hz     ppm     Int.
    

       3219.85   8.057     30
       3214.36   8.043     53
       3208.86   8.030     31
       2927.61   7.326     51
       2809.69   7.031     51
       1446.41   3.620    318
       1440.55   3.605    316
        740.97   1.855   1000
    

in DMSO-d6

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KBr disc

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nujol mull

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