N-ISOPROPYL-1,3-PROPANEDIAMINE(3360-16-5) ¹³C NMR

Product NameN-ISOPROPYL-1,3-PROPANEDIAMINE

CAS 3360-16-5

Molecular FormulaC6H16N2

Molecular Weight116.2

InChIInChI=1S/C6H16N2/c1-6(2)8-5-3-4-7/h6,8H,3-5,7H2,1-2H3

InChIKey KFDIDIIKNMZLRZ-UHFFFAOYSA-N

SmilesN(C(C)C)CCCN

Request For Quotation

Mass

MS-IW-3486          
n-isopropyltrimethylenediamine
C6H16N2             (Mass of molecular ion:    116)

   Source Temperature: 210 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       1.8
      18.0       5.3
      27.0       6.7
      28.0      13.5
      29.0       2.5
      30.0      77.4
      31.0       2.1
      39.0       4.5
      40.0       1.1
      41.0      18.0
      42.0      12.5
      43.0      16.6
      44.0      45.0
      45.0       3.3
      54.0       1.4
      55.0       1.0
      56.0      22.5
      57.0      13.6
      58.0     100.0
      59.0       5.5
      60.0       8.1
      68.0       1.1
      70.0       6.1
      71.0       6.3
      72.0      48.1
      73.0       8.3
      84.0      28.7
      85.0       2.3
      86.0       4.9
      98.0       2.4
      99.0      15.0
     100.0       1.1
     101.0       7.3
     116.0       1.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₆ N₂	0.05 ml : 0.5 ml CDCl₃
N-isopropyltrimethylenediamine

    Assign.     Shift(ppm)

      A             2.782
      B             2.756
      C             2.655
      D             1.621
      E             1.38
      F             1.049

     Hz     ppm     Int.

   1124.51   2.814     49
   1118.29   2.799    117
   1112.06   2.783    158
   1108.40   2.774    198
   1105.83   2.767    135
   1101.44   2.757    360
   1094.73   2.740    210
   1068.12   2.673    209
   1061.04   2.655    342
   1053.96   2.638    230
    661.87   1.657     67
    655.03   1.640    212
    647.95   1.622    266
    640.99   1.604    198
    634.03   1.587     61
    552.12   1.382    331
    428.83   1.074     43
    422.61   1.058    970
    416.26   1.042   1000

in CDCl3