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4114-31-2

肼基甲酸乙酯(4114-31-2)质谱(MS)

产品名称:肼基甲酸乙酯

CAS:4114-31-2

分子式:C3H8N2O2

分子量: 104.11

InChI:InChI=1S/C3H8N2O2/c1-2-7-3(6)5-4/h2,4H2,1H3,(H,5,6)

InChIKey: VYSYZMNJHYOXGN-UHFFFAOYSA-N

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

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    Mass

    MS-NW-6555          
    ethyl carbazate
    C3H8N2O2            (Mass of molecular ion:    104)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          14.0       1.1
          15.0       3.9
          16.0       1.2
          17.0       2.8
          18.0       4.5
          19.0       1.5
          26.0       4.3
          27.0      43.9
          28.0      23.1
          29.0      82.4
          30.0       8.7
          31.0      69.6
          32.0     100.0
          42.0       1.7
          43.0       6.1
          44.0       7.0
          45.0      68.7
          46.0       3.7
          58.0       2.0
          59.0      19.2
          64.0       1.4
          76.0       4.4
         104.0      21.5
         105.0       1.4
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C3 H8 N2 O2 0.041 g : 0.5 ml CDCl3
    ethyl carbazate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.4 B 4.166 C 3.80 D 1.263

         Hz     ppm     Int.
    

        384.25   4.291    123
        377.00   4.210    459
        369.88   4.130    486
        362.88   4.052    150
        340.56   3.803     70
        120.00   1.340    479
        112.94   1.262   1000
        105.81   1.182    421
    

in CDCl3

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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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