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110-78-1

異氰酸丙酯(110-78-1)質(zhì)譜(MS)

產(chǎn)品名稱:異氰酸丙酯

CAS:110-78-1

分子式:C4H7NO

分子量: 85.1

InChI:InChI=1S/C4H7NO/c1-2-3-5-4-6/h2-3H2,1H3

InChIKey: OQURWGJAWSLGQG-UHFFFAOYSA-N

Smiles:C(N=C=O)CC

  • 圖譜
    Mass 

    MS-NW-3094          
propyl isocyanate
C4H7NO              (Mass of molecular ion:     85)


       Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV


          15.0       3.8
      26.0       5.0
      27.0      21.7
      28.0      17.6
      29.0      33.1
      30.0      29.0
      38.0       1.4
      39.0       5.6
      40.0       3.2
      41.0      10.8
      42.0      28.5
      43.0       2.9
      54.0       1.3
      55.0       2.0
      56.0     100.0
      57.0      23.3
      58.0       1.8
      70.0       1.5
      84.0      26.1
      85.0       8.8

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C4 H7 N O 0.05 ml : 0.5 ml CDCl3
    propyl isocyanate
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             3.258
      B             1.63
      C             0.991
  

         Hz     ppm     Int.


        298.75   3.336    391
    292.25   3.264    805
    285.56   3.189    482
    158.75   1.773     53
    157.38   1.758    129
    152.63   1.705     58
    151.06   1.687    204
    150.56   1.682    194
    144.56   1.615    153
    143.50   1.603    256
    138.81   1.550     39
    136.75   1.527    168
    130.56   1.458     42
    129.56   1.447     39
     95.75   1.070    299
     95.06   1.062    512
     94.38   1.054    317
     88.25   0.986   1000
     87.50   0.977    514
     81.38   0.909    178
     80.50   0.899    288
     79.44   0.888    162

in CDCl3

  • 圖譜

liquid film

  • 圖譜

  • 圖譜

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