1,11-DIAMINOUNDECANE(822-08-2) ¹³C NMR

Product Name1,11-DIAMINOUNDECANE

CAS 822-08-2

Molecular FormulaC11H26N2

Molecular Weight186.34

InChIInChI=1S/C11H26N2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h1-13H2

InChIKey KLNPWTHGTVSSEU-UHFFFAOYSA-N

SmilesC(N)CCCCCCCCCCN

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Mass

MS-IW-2162          
1,11-undecanediamine
C11H26N2            (Mass of molecular ion:    186)

   Source Temperature: 120 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      17.0       1.6
      18.0      16.4
      27.0       2.1
      28.0       4.4
      29.0       2.9
      30.0     100.0
      31.0       2.8
      39.0       1.9
      41.0       8.5
      42.0       2.8
      43.0       5.8
      44.0      35.0
      45.0       9.9
      54.0       1.1
      55.0       9.8
      56.0      11.7
      57.0       2.3
      58.0       1.3
      59.0       5.2
      67.0       1.9
      68.0       1.3
      69.0       6.3
      70.0       4.2
      72.0       5.1
      73.0       3.8
      81.0       1.3
      82.0       1.4
      83.0       3.7
      84.0       3.1
      86.0       9.9
      87.0       2.7
      95.0       1.0
      96.0       1.2
      97.0       2.0
      98.0       1.7
     100.0       7.4
     101.0       1.3
     111.0       1.2
     112.0       1.2
     114.0       6.6
     115.0       1.5
     128.0       6.8
     129.0       1.2
     140.0       1.3
     142.0       9.9
     143.0       2.0
     156.0       4.4
     157.0      17.4
     158.0       2.1
     170.0      14.6
     171.0       1.9
     185.0       1.5
     186.0       5.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₁ H₂₆ N₂	0.042 g : 0.5 ml CDCl₃
1,11-undecanediamine

    Assign.     Shift(ppm)

      A             2.674
      B             1.43
      C             1.28

     Hz     ppm     Int.

   1075.93   2.693    234
   1068.97   2.675    405
   1062.01   2.658    259
    578.13   1.447    120
    571.53   1.431    185
    564.82   1.414    148
    558.23   1.397     61
    510.62   1.278   1000

in CDCl3