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15066-80-5

乙基三正丙基碘化铵(15066-80-5)红外图谱(IR1)

分子式:C11H26IN

分子量: 299.24

InChI:InChI=1S/C11H26N.HI/c1-5-9-12(8-4,10-6-2)11-7-3;/h5-11H2,1-4H3;1H/q+1;/p-1

InChIKey: ZLHWTGZMAWUUMD-UHFFFAOYSA-M

Smiles:[N+](CC)(CCC)(CCC)CCC.[I-]

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    Mass

    MS-NW-0499          
    ethyltripropylammonium iodide
    C11H26IN            (Mass of molecular ion:    299)
    

       Source Temperature: 220 °C
       Sample Temperature: 230 °C
       Direct, 75 eV
    

          15.0       3.7
          18.0       4.9
          26.0       3.1
          27.0      35.3
          28.0       6.4
          29.0      15.1
          30.0      18.8
          38.0       1.2
          39.0       9.5
          40.0       1.8
          41.0      35.1
          42.0      11.5
          43.0      76.1
          44.0       6.7
          54.0       1.5
          55.0       2.0
          56.0       4.3
          57.0       3.2
          58.0      33.5
          59.0       1.2
          67.0       1.3
          68.0       1.4
          69.0       2.2
          70.0       2.3
          71.0       1.3
          72.0      20.4
          73.0       1.1
          81.0       1.3
          82.0       1.0
          83.0       1.2
          84.0       3.6
          85.0       1.2
          86.0      10.3
          98.0       2.1
         100.0     100.0
         101.0       8.5
         112.0       1.0
         114.0      53.5
         115.0       5.4
         127.0       8.0
         128.0       3.6
         129.0       7.6
         141.0       1.9
         143.0       4.4
         156.0      13.6
         170.0      20.4
         172.0       1.0
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C11 H26 I N 0.046 g : 0.5 ml CDCl3
    ethyltripropylammonium iodide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.51 B 3.34 C 1.80 D 1.40 E 1.072 J(A,D)=7.3HZ J(C,E)=7.0HZ

         Hz     ppm     Int.
    

        329.44   3.679     47
        321.94   3.595    165
        314.63   3.514    180
        307.88   3.438    296
        302.81   3.382    161
        300.06   3.351    195
        299.25   3.342    205
        294.81   3.292    153
        291.00   3.250    328
        172.94   1.931    107
        171.13   1.911     49
        170.75   1.907     50
        165.69   1.851    149
        165.38   1.847    149
        163.38   1.825    104
        162.75   1.818    104
        161.50   1.804    112
        161.13   1.800    115
        160.00   1.787    106
        159.50   1.781    107
        157.31   1.757    141
        156.56   1.749    147
        154.19   1.722     97
        150.19   1.677     90
        148.75   1.661    107
        132.63   1.481     85
        131.44   1.468     71
        131.13   1.465     72
        127.00   1.419    114
        125.44   1.401    163
        123.94   1.384    126
        123.63   1.381    126
        119.44   1.334     63
        118.25   1.321     77
        116.31   1.299     57
        102.44   1.144    539
         98.81   1.104     73
         98.38   1.099     73
         95.44   1.066   1000
         91.63   1.024     87
         88.06   0.984    319
    

in CDCl3

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KBr disc

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nujol mull

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