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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>590-42-1更多圖譜> 叔丁基異硫酸酯(590-42-1)質(zhì)譜(MS)

590-42-1

叔丁基異硫酸酯(590-42-1)質(zhì)譜(MS)

產(chǎn)品名稱:叔丁基異硫酸酯

CAS:590-42-1

分子式:C5H9NS

分子量: 115.2

InChI:InChI=1S/C5H9NS/c1-5(2,3)6-4-7/h1-3H3

InChIKey: ZFWFRTVIIMTOLY-UHFFFAOYSA-N

Smiles:CC(N=C=S)(C)C

  • 圖譜
    Mass 

    MS-NW-5849          
tert-butyl isothiocyanate
C5H9NS              (Mass of molecular ion:    115)


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


          15.0       2.7
      26.0       1.2
      27.0       9.2
      28.0       2.1
      29.0      49.3
      30.0       1.1
      32.0       1.2
      38.0       1.8
      39.0      17.6
      40.0       3.0
      41.0      77.2
      42.0       4.5
      44.0       1.4
      45.0       1.3
      50.0       1.0
      53.0       1.4
      55.0       6.5
      56.0       7.3
      57.0     100.0
      58.0       5.0
      59.0       3.4
      60.0       2.6
      72.0       7.5
      84.0       1.5
     100.0      15.4
     101.0       1.0
     115.0      58.3
     116.0       4.2
     117.0       2.8

parameter in CDCl3

  • 圖譜

    1H NMR 300 MHz
    C5 H9 N S 0.04 ml : 0.5 ml CDCl3
    tert-butyl isothiocyanate
    ChemicalStructure 
        Parameter     ppm  Hz
    
      D(A)         1.433
  

         Hz     ppm     Int.


        429.90   1.433   1000

in CDCl3

  • 圖譜

liquid film

  • 圖譜

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