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51-79-6

氨基甲酸乙酯(51-79-6)质谱(MS)

产品名称:氨基甲酸乙酯

CAS:51-79-6

分子式:C3H7NO2

分子量: 89.09

InChI:InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)

InChIKey: JOYRKODLDBILNP-UHFFFAOYSA-N

Smiles:C(OCC)(=O)N

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    Mass

    MS-NW-1668          
    ethyl carbamate
    C3H7NO2             (Mass of molecular ion:     89)
    

       Source Temperature: 250 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          14.0       1.6
          15.0       5.3
          16.0       5.9
          17.0       7.6
          18.0      28.5
          19.0       3.6
          26.0       5.1
          27.0      27.5
          28.0      10.3
          29.0      22.4
          30.0       2.6
          31.0      40.3
          42.0       1.9
          43.0      10.7
          44.0     100.0
          45.0      70.2
          46.0       9.3
          61.0       5.4
          62.0      84.4
          63.0       1.3
          71.0       1.1
          74.0      13.9
          89.0       4.6
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C3 H7 N O2 0.041 g : 0.5 ml CDCl3
    ethyl carbamate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.8 B 4.113 C 1.255

         Hz     ppm     Int.
    

        379.44   4.237    131
        372.25   4.157    457
        365.19   4.078    480
        358.06   3.998    158
        119.44   1.334    499
        112.31   1.255   1000
        105.19   1.175    441
    

in CDCl3

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CCl4 solution

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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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