ChemicalBook
English   Japanese   Germany   Korea

100-53-8

苄硫醇(100-53-8)核磁图(13CNMR)

产品名称:苄硫醇

CAS:100-53-8

分子式:C7H8S

分子量: 124.2

InChI:InChI=1S/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2

InChIKey: UENWRTRMUIOCKN-UHFFFAOYSA-N

Smiles:C1(CS)=CC=CC=C1

  • 图谱
    Mass

    MS-NW-3729          
    alpha-toluenethiol
    C7H8S               (Mass of molecular ion:    124)
    

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

          38.0       1.3
          39.0       6.1
          41.0       1.2
          45.0       8.3
          50.0       2.1
          51.0       4.6
          52.0       1.1
          61.0       1.1
          62.0       2.3
          63.0       4.1
          64.0       1.1
          65.0      11.6
          77.0       3.2
          78.0       1.4
          79.0       1.1
          89.0       3.3
          90.0       1.6
          91.0     100.0
          92.0       8.3
         121.0       1.6
         123.0       1.0
         124.0      32.0
         125.0       2.9
         126.0       1.6
    

90 MHz in CDCl3

  • 图谱

    1H NMR 89.56 MHz
    C7 H8 S 0.04 ml : 0.5 ml CDCl3
    alpha-toluenethiol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.45 to 7.06 B 3.701 C 1.726 J(B,C)=7.6 HZ.

         Hz     ppm     Int.
    

        664.50   7.420     31
        658.25   7.350     40
        657.50   7.342     47
        656.06   7.326     34
        654.19   7.305    156
        652.75   7.289    299
        651.75   7.278   1000
        650.44   7.263    292
        649.13   7.248    131
        648.56   7.242    174
        646.50   7.219     45
        646.06   7.214     47
        643.50   7.186     40
        335.50   3.747    419
        327.94   3.662    470
        161.88   1.808    277
        154.50   1.726    372
        146.81   1.640    245
    

in CDCl3

  • 图谱

liquid film

  • 图谱

  • 图谱

×