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56-37-1

苄基三乙基氯化铵(56-37-1)质谱(MS)

分子式:C13H22ClN

分子量: 227.77

InChI:InChI=1S/C13H22N.ClH/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;/h7-11H,4-6,12H2,1-3H3;1H/q+1;/p-1

InChIKey: HTZCNXWZYVXIMZ-UHFFFAOYSA-M

Smiles:[N+](CC)(CC)(CC)CC1=CC=CC=C1.[Cl-]

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    Mass

    MS-NW-4868          
    benzyltriethylammonium chloride
    C13H22ClN           (Mass of molecular ion:    227)
    

       Source Temperature: 210 °C
       Sample Temperature: 200 °C
       Direct, 75 eV
    

          15.0       2.6
          18.0       2.7
          26.0       3.0
          27.0      13.3
          28.0      10.1
          29.0      12.9
          30.0      17.4
          37.0       1.7
          38.0       3.5
          39.0      11.3
          40.0       1.4
          41.0       4.0
          42.0      10.9
          43.0       1.9
          44.0       9.0
          45.0       2.0
          49.0       1.1
          50.0       4.6
          51.0       6.2
          52.0       1.8
          54.0       1.3
          56.0       6.1
          57.0       1.3
          58.0      19.4
          61.0       2.0
          62.0       4.7
          63.0       9.5
          64.0       3.0
          65.0      13.9
          70.0       2.7
          71.0       1.1
          72.0       2.9
          86.0      53.3
          87.0       4.1
          89.0       6.7
          90.0       3.1
          91.0     100.0
          92.0       7.4
         100.0       3.7
         101.0       8.0
         125.0       2.1
         126.0      13.3
         127.0       1.9
         128.0       4.6
         148.0       3.7
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C13 H22 Cl N 0.046 g : 0.5 ml CDCl3
    benzyltriethylammonium chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.72 to 7.25 B 4.739 C 3.414 D 1.454

         Hz     ppm     Int.
    

        682.81   7.625     61
        680.44   7.598     98
        676.75   7.557    144
        676.38   7.553    146
        676.06   7.549    145
        672.75   7.512    301
        670.69   7.489    262
        668.31   7.463    554
        665.75   7.434    310
        662.75   7.401    118
        661.19   7.383     98
        657.75   7.345     30
        424.44   4.740    633
        317.13   3.541    178
        314.13   3.508     56
        313.75   3.504     54
        309.75   3.459    628
        302.56   3.379    683
        298.50   3.333     66
        298.19   3.330     67
        295.44   3.299    233
        292.38   3.265     43
        291.25   3.253     40
        137.06   1.531    515
        130.00   1.452   1000
        122.88   1.373    445
        116.63   1.303     34
    

in CDCl3

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KBr disc

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nujol mull

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