ChemicalBook
English   Japanese   Germany   Korea
返回ChemicalBook首页>CAS数据库列表>1679-09-0更多图谱> 2-甲基-2-丁硫醇(1679-09-0)红外图谱(IR1)

1679-09-0

2-甲基-2-丁硫醇(1679-09-0)红外图谱(IR1)

产品名称:2-甲基-2-丁硫醇

CAS:1679-09-0

分子式:C5H12S

分子量: 104.21

InChI:InChI=1S/C5H12S/c1-4-5(2,3)6/h6H,4H2,1-3H3

InChIKey: IQIBYAHJXQVQGB-UHFFFAOYSA-N

Smiles:CC(C)(S)CC

  • 图谱
    Mass

    MS-NW-3980          
    2-methyl-2-butanethiol
    C5H12S              (Mass of molecular ion:    104)
    

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

          15.0       1.2
          26.0       1.2
          27.0      14.5
          28.0       1.7
          29.0      19.8
          34.0       1.0
          35.0       1.0
          38.0       1.3
          39.0      14.2
          40.0       1.8
          41.0      42.8
          42.0       7.2
          43.0     100.0
          44.0       3.6
          45.0       3.5
          47.0       8.5
          51.0       1.2
          53.0       4.1
          55.0      37.8
          56.0       3.5
          57.0       5.1
          58.0       1.6
          59.0       6.4
          60.0       2.1
          61.0       9.2
          69.0       3.7
          70.0       6.7
          71.0      68.0
          72.0       3.8
          74.0       2.5
          75.0      28.4
          76.0       1.4
          77.0       1.5
          85.0       1.9
          89.0       2.9
          90.0       2.0
         104.0      27.1
         105.0       1.8
         106.0       1.3
    

400 MHz in CDCl3

90 MHz in CDCl3

  • 图谱

    1H NMR 399.65 MHz
    C5 H12 S 0.05 ml : 0.5 ml CDCl3
    2-methyl-2-butanethiol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 1.63 B 1.610 C 1.358 D 0.990

         Hz     ppm     Int.
    

        654.91   1.639     99
        651.25   1.630    211
        647.46   1.621    248
        640.01   1.602    258
        632.57   1.583    101
        543.09   1.359   1000
        542.48   1.358    897
        402.95   1.009    299
        400.39   1.002     32
        399.17   0.999     36
        396.97   0.994    107
        395.63   0.990    501
        393.19   0.984     48
        391.85   0.981     41
        389.53   0.975     50
        388.06   0.971    257
        384.64   0.963     22
    

  • 图谱

    1H NMR 89.56 MHz
    C5 H12 S 0.04 ml : 0.5 ml CDCl3
    2-methyl-2-butanethiol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 1.63 B 1.59 C 1.358 D 0.99 J(A,C)=0.6HZ.

         Hz     ppm     Int.
    

        148.50   1.659     72
        148.00   1.653     68
        146.13   1.632     86
        145.63   1.627    104
        145.06   1.620     83
        142.50   1.592     44
        140.94   1.574    108
        134.69   1.504     52
        133.50   1.491     55
        121.94   1.362   1000
        121.38   1.356    888
         96.25   1.075     69
         95.44   1.066    131
         94.75   1.058     86
         88.63   0.990    307
         87.81   0.981    139
         81.75   0.913     57
         80.88   0.904     87
         79.69   0.890     52
    

in CDCl3

  • 图谱

liquid film

  • 图谱

×