N-isobutyl-sec-butylamine(39190-88-0) MS

Product NameN-isobutyl-sec-butylamine

CAS 39190-88-0

Molecular FormulaC8H19N

Molecular Weight129.24316

InChIInChI=1S/C8H19N/c1-5-8(4)9-6-7(2)3/h7-9H,5-6H2,1-4H3

InChIKey DVFVBAPHBZWJFX-UHFFFAOYSA-N

SmilesC(C)(CC)NCC(C)C

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Mass

MS-NW-1360          
n-isobutyl-sec-butylamine
C8H19N              (Mass of molecular ion:    129)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.4
      18.0       1.6
      27.0       6.7
      28.0       7.7
      29.0      18.5
      30.0     100.0
      31.0       1.4
      39.0       5.2
      41.0      18.5
      42.0       4.4
      43.0       2.3
      44.0      53.1
      45.0       1.4
      55.0       6.6
      56.0       5.9
      57.0      24.5
      58.0      19.6
      70.0       1.8
      72.0       5.8
      84.0       2.1
      86.0      65.6
      87.0       3.9
     100.0      67.2
     101.0       4.8
     114.0       7.5
     128.0       1.3
     129.0       1.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₉ N	0.04 ml : 0.5 ml CDCl₃
N-isobutyl-sec-butylamine

    Assign.     Shift(ppm)

      A             2.52
      B             2.40
      C             1.71
      D             1.36
      E             1.023
      F             0.911
      G             0.90

     Hz     ppm     Int.

    229.13   2.559     38
    228.13   2.548     49
    222.81   2.488     52
    222.19   2.481     51
    219.06   2.446    127
    217.38   2.428    140
    212.00   2.368    170
    211.13   2.358    182
    153.06   1.710     41
    146.69   1.638     41
    134.88   1.507     45
    129.38   1.445     58
    128.63   1.437     57
    127.06   1.419     50
    121.69   1.359    124
    114.75   1.282     75
    108.50   1.212     39
     94.38   1.054    623
     92.31   1.031     64
     91.25   1.019     55
     90.88   1.015     55
     88.13   0.985    577
     87.00   0.972    186
     86.06   0.961    238
     84.38   0.943   1000
     78.00   0.871    816
     72.63   0.811     65
     71.50   0.799    105
     70.00   0.782     68

in CDCl3

CCl4 solution

liquid film

4880 A,200 M,liquid

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