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1795-48-8

异氰酸异丙酯(1795-48-8)质谱(MS)

产品名称:异氰酸异丙酯

CAS:1795-48-8

分子式:C4H7NO

分子量: 85.1

InChI:InChI=1S/C4H7NO/c1-4(2)5-3-6/h4H,1-2H3

InChIKey: GSLTVFIVJMCNBH-UHFFFAOYSA-N

Smiles:CC(N=C=O)C

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    Mass

    MS-NW-2952          
    isopropyl isocyanate
    C4H7NO              (Mass of molecular ion:     85)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          14.0       1.0
          15.0      11.6
          26.0       1.7
          27.0       7.0
          28.0       2.5
          38.0       1.2
          39.0       4.5
          40.0       3.7
          41.0       9.0
          42.0      30.2
          43.0       9.1
          56.0       2.2
          69.0       2.3
          70.0     100.0
          71.0       3.9
          84.0       1.5
          85.0      11.3
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C4 H7 N O 0.02 ml : 0.5 ml CDCl3
    isopropyl isocyanate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.72 B 1.293

         Hz     ppm     Int.
    

        345.81   3.862     30
        339.31   3.789     71
        332.88   3.717     89
        326.44   3.645     77
        320.06   3.574     37
        121.44   1.356     24
        120.50   1.346     25
        118.94   1.329   1000
        116.44   1.301     44
        115.19   1.287     31
        114.75   1.282     30
        114.06   1.274     31
        112.50   1.257    932
        110.19   1.231     38
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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