N,N'-Di-sec-butyl-p-phenylenediamine(101-96-2) MS

Product NameN,N'-Di-sec-butyl-p-phenylenediamine

CAS 101-96-2

Molecular FormulaC14H24N2

Molecular Weight220.35

InChIInChI=1S/C14H24N2/c1-5-11(3)15-13-7-9-14(10-8-13)16-12(4)6-2/h7-12,15-16H,5-6H2,1-4H3

InChIKey FSWDLYNGJBGFJH-UHFFFAOYSA-N

SmilesC1(NC(C)CC)=CC=C(NC(C)CC)C=C1

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¹HNMR

¹³CNMR

IR1

N,N'-Di-sec-butyl-p-phenylenediamine(101-96-2) MS
Mass

MS-IW-5650          
N,N'-di-sec-butyl-p-phenylenediamine
C14H24N2            (Mass of molecular ion:    220)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       1.1
      28.0       1.4
      29.0       3.4
      39.0       1.4
      41.0       3.5
      42.0       1.2
      53.0       1.0
      57.0       1.7
      65.0       2.0
      73.0       1.1
      74.0       3.3
      77.0       1.1
      79.0       1.3
      80.0       4.3
      81.0      13.9
      81.5       1.6
      88.0       2.0
      91.0       1.8
      92.0       1.9
      93.0       2.2
     106.0       2.1
     107.0      14.9
     108.0       2.4
     117.0       1.2
     118.0       4.8
     119.0       5.0
     120.0       9.8
     121.0       1.0
     132.0       1.5
     133.0       3.4
     134.0       3.3
     135.0       4.8
     147.0       2.0
     161.0       6.6
     162.0       1.6
     163.0       7.3
     164.0       1.7
     175.0       2.5
     189.0       4.9
     190.0       2.2
     191.0     100.0
     192.0      14.1
     205.0      13.7
     206.0       2.1
     218.0       1.6
     219.0       3.2
     220.0      37.5
     221.0       6.3

400 MHz in CDCl3

N,N'-Di-sec-butyl-p-phenylenediamine(101-96-2) MS

¹H NMR	399.65 MHz
C₁₄ H₂₄ N₂	0.05 ml : 0.5 ml CDCl₃
N,N'-di-sec-butyl-p-phenylenediamine

    Assign.     Shift(ppm)

      A             6.514
      B             3.259
      C             2.96
      D     *1      1.580
      E     *1      1.404
      F             1.123
      G             0.928

     Hz     ppm     Int.

   2603.76   6.516    962
   1312.13   3.284     58
   1305.91   3.268    101
   1299.93   3.253    103
   1293.70   3.238     62
   1181.64   2.957     76
    646.12   1.617     52
    640.63   1.603     66
    638.67   1.599     61
    634.64   1.588     43
    632.93   1.584     98
    627.20   1.570     80
    625.12   1.565     84
    619.75   1.551     74
    617.68   1.546     33
    574.34   1.438     85
    567.14   1.420    127
    560.55   1.403     99
    559.94   1.402    109
    553.59   1.386     92
    546.39   1.368     66
    452.03   1.132   1000
    445.80   1.116    976
    442.02   1.107     43
    382.20   0.957     36
    378.30   0.947    505
    370.85   0.928    932
    363.40   0.910    435

in CDCl3