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返回ChemicalBook首页>CAS数据库列表>1071-37-0更多图谱> S-乙基异硫脲氢溴酸盐(1071-37-0)核磁图(1HNMR)

1071-37-0

S-乙基异硫脲氢溴酸盐(1071-37-0)核磁图(1HNMR)

分子式:C3H9BrN2S

分子量: 185.09

InChI:InChI=1S/C3H8N2S.BrH/c1-2-6-3(4)5;/h2H2,1H3,(H3,4,5);1H

InChIKey: SWXXKWPYNMZFTE-UHFFFAOYSA-N

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

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    Mass

    MS-NW-5484          
    2-ethylisothiourea hydrobromide
    C3H8N2S HBr         (Mass of molecular ion:    104)
    

       Source Temperature: 150 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          13.0       1.0
          18.0       1.8
          26.0       2.8
          27.0      13.2
          28.0       7.9
          29.0      12.8
          32.0       1.0
          34.0       2.4
          35.0       3.8
          41.0       1.8
          42.0      13.8
          43.0     100.0
          44.0       6.1
          45.0       4.4
          46.0       4.8
          47.0      11.9
          48.0       1.4
          57.0       1.3
          58.0       2.7
          59.0       3.7
          60.0       4.9
          61.0       4.5
          62.0      15.3
          71.0      16.9
          76.0      20.6
          78.0       1.1
          79.0       9.6
          80.0      25.9
          81.0       9.5
          82.0      25.3
          89.0       1.8
         104.0       7.2
    

90 MHz in D2O

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    1H NMR 89.56 MHz
    C3 H8 N2 S saturated in D2O
    2-ethylisothiourea hydrobromide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.141 B 1.384 SOLVENT PEAK REMOVED

         Hz     ppm     Int.
    

        293.50   3.278    116
        285.81   3.192    446
        278.38   3.109    490
        271.06   3.027    161
        130.94   1.463    519
        123.69   1.382   1000
        116.19   1.298    420
    

KBr disc

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liquid film

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nujol mull

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