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1116-76-3

三辛胺(1116-76-3)核磁图(13CNMR)

产品名称:三辛胺

CAS:1116-76-3

分子式:C24H51N

分子量: 353.67

InChI:InChI=1S/C24H51N/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3

InChIKey: XTAZYLNFDRKIHJ-UHFFFAOYSA-N

Smiles:C(N(CCCCCCCC)CCCCCCCC)CCCCCCC

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    Mass

    MS-NW-1788          
    trioctylamine
    C24H51N             (Mass of molecular ion:    353)
    

       Source Temperature: 210 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          27.0       1.1
          29.0       4.0
          30.0       3.7
          41.0       6.4
          42.0       2.2
          43.0      11.2
          44.0      10.5
          55.0       4.4
          56.0       1.7
          57.0       6.6
          58.0       5.8
          69.0       2.8
          70.0       1.8
          71.0       2.6
          84.0       2.1
          98.0       2.1
         112.0       3.7
         126.0       1.4
         142.0      10.8
         143.0       1.1
         154.0       2.6
         156.0       8.6
         157.0       1.0
         226.0       1.8
         240.0       1.2
         252.0       1.7
         254.0     100.0
         255.0      19.1
         256.0       1.8
         352.0       1.7
         353.0       2.9
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C24 H51 N 0.06 ml : 0.5 ml CDCl3
    trioctylamine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.37 B 1.45 C 1.27 D 0.88

         Hz     ppm     Int.
    

        219.88   2.456     44
        219.19   2.448     43
        218.19   2.437     42
        217.69   2.431     41
        217.38   2.428     40
        217.06   2.424     41
        216.38   2.417     45
        216.06   2.413     47
        213.19   2.381     87
        212.75   2.376     87
        212.38   2.372     85
        211.50   2.362     76
        205.63   2.297     84
        129.25   1.444     53
        128.94   1.440     54
        127.94   1.429     57
        126.69   1.415     64
        125.63   1.403     69
        125.13   1.398     71
        124.50   1.391     73
        124.19   1.387     76
        123.44   1.379     80
        122.81   1.372     82
        113.94   1.273   1000
         84.06   0.939    100
         83.69   0.935    100
         82.44   0.921     90
         81.88   0.915     87
         81.38   0.909     86
         80.63   0.901     85
         78.81   0.880    326
         74.81   0.836     58
         74.50   0.832     56
         74.13   0.828     57
         72.63   0.811     75
    

in CDCl3

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CCl4 solution

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liquid film

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