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104-95-0

4-溴茴香硫醚(104-95-0)红外图谱(IR2)

产品名称:4-溴茴香硫醚

CAS:104-95-0

分子式:C7H7BrS

分子量: 203.1

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

InChIKey: YEUYZNNBXLMFCW-UHFFFAOYSA-N

Smiles:C1(Br)=CC=C(SC)C=C1

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    Mass

    MS-IW-0819          
    p-bromophenyl methyl sulfide
    C7H7BrS             (Mass of molecular ion:    202)
    

       Source Temperature: 200 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          45.0       7.5
          47.0       1.5
          50.0       4.5
          51.0       1.8
          58.0       1.4
          63.0       3.2
          69.0       3.7
          74.0       2.5
          75.0       4.0
          76.0       3.2
          77.0       6.5
          78.0       1.2
          79.0       1.5
          82.0       2.6
         101.0       1.9
         102.0       1.9
         107.0       1.1
         108.0      35.0
         109.0       2.8
         110.0       1.7
         121.0       2.4
         122.0       7.5
         123.0       6.6
         124.0       1.1
         156.0       6.4
         157.0       1.1
         158.0       6.3
         169.0       6.5
         171.0       6.4
         187.0      26.7
         188.0       2.3
         189.0      27.3
         190.0       2.0
         191.0       1.2
         201.0       1.7
         202.0      98.5
         203.0       9.9
         204.0     100.0
         205.0       8.5
         206.0       4.6
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H7 Br S 0.041 g : 0.5 ml CDCl3
    p-bromophenyl methyl sulfide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.382 B 7.103 C 2.450

         Hz     ppm     Int.
    

       2957.64   7.401     34
       2954.96   7.394    251
       2952.88   7.389     92
       2948.24   7.378     97
       2946.17   7.372    300
       2943.48   7.366     43
       2845.58   7.121     40
       2842.90   7.114    277
       2840.82   7.109     92
       2836.30   7.097     84
       2834.23   7.092    243
       2831.54   7.086     34
        979.13   2.450   1000
    

in CDCl3

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KBr disc

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nujol mull

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