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592-82-5

丁基异硫氰酸酯(592-82-5)核磁图(13CNMR)

产品名称:丁基异硫氰酸酯

CAS:592-82-5

分子式:C5H9NS

分子量: 115.2

InChI:InChI=1S/C5H9NS/c1-2-3-4-6-5-7/h2-4H2,1H3

InChIKey: LIMQQADUEULBSO-UHFFFAOYSA-N

Smiles:C(N=C=S)CCC

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    Mass

    MS-NW-1121          
    butyl isothiocyanate
    C5H9NS              (Mass of molecular ion:    115)
    

       Source Temperature: 240 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          15.0       1.5
          26.0       3.5
          27.0      31.3
          28.0       5.3
          29.0      73.4
          30.0       3.4
          32.0       1.3
          38.0       1.7
          39.0      17.0
          40.0       3.1
          41.0      85.5
          42.0       4.0
          43.0      10.2
          44.0       3.4
          45.0       9.8
          46.0       2.2
          50.0       1.0
          51.0       1.4
          53.0       1.9
          54.0       2.2
          55.0       9.8
          56.0      32.0
          57.0      51.4
          58.0       2.7
          59.0       9.3
          60.0       6.8
          70.0       1.8
          71.0       2.4
          72.0      42.8
          73.0      10.0
          74.0       3.8
          82.0       5.3
          86.0       5.5
          87.0       1.2
         100.0       5.7
         114.0      15.6
         115.0     100.0
         116.0       7.5
         117.0       4.7
    

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in CDCl3

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liquid film

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