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Back ChemicalBook Home>CAS DataBase List>373-44-4More Spectrum> 1,8-Diaminooctane(373-44-4) 1H NMR

1,8-Diaminooctane(373-44-4) 1H NMR

Product Name1,8-Diaminooctane

CAS373-44-4

Molecular FormulaC8H20N2

Molecular Weight144.26

InChIInChI=1S/C8H20N2/c9-7-5-3-1-2-4-6-8-10/h1-10H2

InChIKey PWGJDPKCLMLPJW-UHFFFAOYSA-N

SmilesC(N)CCCCCCCN


  • Mass

    MS-NW-4671          
    octamethylenediamine
    C8H20N2             (Mass of molecular ion:    144)
    

       Source Temperature: 240 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          18.0      10.7
          27.0       2.0
          28.0       3.0
          29.0       2.0
          30.0     100.0
          31.0       3.3
          39.0       1.8
          41.0       5.6
          42.0       3.5
          43.0       3.1
          44.0      10.3
          45.0       6.0
          54.0       1.1
          55.0       6.9
          56.0      10.3
          57.0       1.3
          58.0       1.0
          59.0       3.1
          67.0       1.1
          69.0       3.3
          70.0       4.7
          72.0       5.2
          73.0       1.2
          84.0       1.2
          86.0       6.0
          87.0       1.4
          98.0       1.3
         100.0       3.5
         114.0       1.8
         115.0       8.3
         128.0       5.8
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C8 H20 N2 0.049 g : 0.5 ml CDCl3
    octamethylenediamine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.67 B 1.43 C 1.32 D 1.09

         Hz     ppm     Int.
    

        246.38   2.752     72
        246.00   2.747     71
        244.56   2.731     67
        244.19   2.727     66
        243.69   2.721     65
        243.06   2.714     64
        239.63   2.676    258
        233.06   2.603    122
        135.00   1.508     45
        134.38   1.501     46
        133.81   1.495     46
        132.38   1.479     52
        131.56   1.469     56
        130.13   1.453     64
        129.75   1.449     67
        127.56   1.425     89
        126.75   1.416     92
        118.44   1.323    689
        111.38   1.244     53
         97.50   1.089   1000
    

in CDCl3



KBr disc



nujol mull





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