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3115-68-2

四正丁基溴化膦(3115-68-2)Raman光谱

产品名称:四正丁基溴化膦

CAS:3115-68-2

分子式:C16H36BrP

分子量: 339.33

InChI:InChI=1S/C16H36P.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1

InChIKey: RKHXQBLJXBGEKF-UHFFFAOYSA-M

Smiles:[P+](CCCC)(CCCC)(CCCC)CCCC.[Br-]

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    Mass

    MS-NW-7052          
    tetrabutylphosphonium bromide
    C16H36BrP           (Mass of molecular ion:    338)
    

       Source Temperature: 220 °C
       Sample Temperature: 240 °C
       Direct, 75 eV
    

          18.0       1.5
          27.0       3.5
          28.0       1.4
          29.0       8.8
          39.0       2.6
          41.0       9.2
          43.0       1.8
          45.0       1.4
          47.0       1.5
          48.0       1.6
          53.0       1.1
          55.0       6.7
          56.0       1.4
          57.0       2.1
          59.0       3.0
          61.0       8.2
          62.0      13.8
          69.0       1.1
          71.0       1.0
          73.0       2.0
          74.0       1.9
          75.0       2.7
          76.0      22.3
          77.0       1.1
          80.0       2.2
          81.0       1.0
          82.0       2.2
          87.0       1.4
          88.0       2.0
          89.0       3.6
          90.0       3.7
         102.0       1.8
         103.0       2.7
         104.0       6.7
         115.0       1.0
         116.0       1.3
         117.0       1.7
         118.0       6.9
         131.0       3.8
         132.0       1.3
         145.0       2.5
         146.0       4.7
         160.0       3.2
         173.0       6.1
         174.0       1.9
         187.0       1.2
         201.0       3.5
         202.0       5.0
         203.0       1.5
         229.0       7.9
         230.0       1.8
         257.0       3.6
         258.0       1.7
         259.0     100.0
         260.0      18.3
         261.0       1.7
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C16 H36 Br P 0.040 g : 0.5 ml CDCl3
    tetrabutylphosphonium bromide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.458 B 1.55 C 0.983

         Hz     ppm     Int.
    

        996.58   2.494    100
        991.46   2.481    121
        988.16   2.473    124
        983.64   2.462    183
        980.47   2.454    169
        978.52   2.449    146
        967.41   2.421    137
        630.98   1.579    153
        627.81   1.571    245
        623.78   1.561    361
        620.24   1.552    498
        616.82   1.544    369
        612.67   1.534    316
        399.41   1.000    464
        392.46   0.983   1000
        385.38   0.965    347
    

in CDCl3

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KBr disc

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nujol mull

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