513-44-0

异丁硫醇(513-44-0)核磁图(¹³CNMR)

产品名称:异丁硫醇

CAS:513-44-0

分子式:C4H10S

分子量: 90.19

InChI:InChI=1S/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3

InChIKey: BDFAOUQQXJIZDG-UHFFFAOYSA-N

Smiles:C(S)C(C)C

Mass

MS-NW-3789          
2-methyl-1-propanethiol
C4H10S              (Mass of molecular ion:     90)

   Source Temperature: 270 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       2.6
      18.0       1.4
      26.0       1.6
      27.0      27.4
      28.0       4.7
      29.0      24.1
      32.0       1.9
      33.0       1.0
      34.0       1.0
      37.0       1.3
      38.0       2.7
      39.0      22.1
      40.0       4.0
      41.0     100.0
      42.0      12.5
      43.0      87.9
      44.0       3.1
      45.0      11.2
      46.0      12.1
      47.0      37.6
      48.0      33.9
      49.0      10.4
      50.0       2.4
      51.0       1.2
      53.0       2.0
      55.0      11.1
      56.0      71.1
      57.0      36.1
      58.0       1.7
      59.0       2.4
      61.0       2.2
      71.0       1.2
      73.0       1.0
      75.0       6.9
      76.0       1.2
      89.0       1.0
      90.0      64.5
      91.0       3.6
      92.0       2.9
     178.0       1.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₄ H₁₀ S	0.04 ml : 0.5 ml CDCl₃
2-methyl-1-propanethiol

    Assign.     Shift(ppm)

      A             2.410
      B             1.74
      C             1.271
      D             0.983

     Hz     ppm     Int.

    224.19   2.504    119
    223.50   2.496    147
    217.56   2.430    317
    215.63   2.408    277
    209.69   2.342    181
    209.13   2.336    202
    168.69   1.884     26
    162.44   1.814     35
    161.88   1.808     33
    155.56   1.737     52
    149.25   1.667     47
    142.75   1.594     36
    121.25   1.354    168
    113.31   1.266    151
    112.81   1.260    162
    105.06   1.174    116
     92.56   1.034     24
     90.75   1.014   1000
     86.19   0.963     26
     84.44   0.943    714

in CDCl3