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19614-16-5

2-溴茴香硫醚(19614-16-5)紅外圖譜(IR1)

產(chǎn)品名稱:2-溴茴香硫醚

CAS:19614-16-5

分子式:C7H7BrS

分子量: 203.1

InChI:InChI=1S/C7H7BrS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3

InChIKey: ALAQDUSTXPEHMH-UHFFFAOYSA-N

Smiles:C1(Br)=CC=CC=C1SC

  • 圖譜
    Mass

    MS-NW-8611          
    o-bromophenyl methyl sulfide
    C7H7BrS             (Mass of molecular ion:    202)
    

       Source Temperature: 260 °C
       Sample Temperature: 140 °C
       Reservoir, 75 eV
    

          37.0       1.8
          38.0       3.3
          39.0       4.9
          43.0       1.0
          45.0      27.7
          46.0       3.8
          47.0       4.7
          49.0       1.5
          50.0      13.1
          51.0       9.0
          54.0       1.2
          57.0       1.1
          58.0       4.3
          60.0       1.8
          61.0       2.3
          62.0       3.4
          63.0      10.1
          64.0       1.7
          65.0       1.0
          69.0      18.0
          70.0       1.2
          71.0       1.4
          73.0       1.5
          74.0       7.3
          75.0       8.9
          76.0       6.5
          77.0      18.1
          78.0       5.3
          79.0       5.0
          81.0       4.3
          82.0       8.4
          89.0       1.6
          90.0       2.4
          91.0       1.7
          93.0       1.4
         102.0       1.0
         106.0       1.0
         107.0       2.8
         108.0      67.0
         109.0       5.4
         110.0       3.1
         121.0      10.4
         122.0      13.4
         123.0      11.9
         124.0       1.9
         156.0       8.2
         157.0       1.4
         158.0       8.1
         169.0      17.4
         170.0       1.3
         171.0      17.0
         172.0       1.3
         187.0      10.1
         188.0       1.2
         189.0      10.4
         201.0       2.0
         202.0      97.8
         203.0      10.1
         204.0     100.0
         205.0       8.5
         206.0       4.6
    

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C7 H7 Br S 0.05 ml : 0.5 ml CDCl3
    o-bromophenyl methyl sulfide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.476 B 7.24 C 7.08 D 6.97 E 2.419 B,C AND D WERE CONFIRMED BY LAOCN PROGRAM.

         Hz     ppm     Int.
    

        674.56   7.532     67
        673.56   7.521     79
        667.00   7.448     89
        665.81   7.435    110
        658.94   7.358     30
        657.50   7.342     30
        652.13   7.282     49
        650.88   7.268     74
        649.50   7.253     69
        644.13   7.193    120
        642.63   7.176    102
        638.38   7.128     82
        636.44   7.107    133
        630.38   7.039    146
        628.31   7.016     90
        623.50   6.962     62
        622.69   6.953     78
        621.50   6.940     57
        620.69   6.931     56
        615.81   6.876     41
        613.81   6.854     34
        216.75   2.421   1000
    

in CDCl3

  • 圖譜

liquid film

  • 圖譜

  • 圖譜

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