N-亞硝基二異丁胺(997-95-5)質(zhì)譜(MS)

產(chǎn)品名稱:N-亞硝基二異丁胺

CAS:997-95-5

分子式:C8H18N2O

分子量: 158.24

InChI:InChI=1S/C8H18N2O/c1-7(2)5-10(9-11)6-8(3)4/h7-8H,5-6H2,1-4H3

InChIKey: XLZCLFRMPCBSDI-UHFFFAOYSA-N

Smiles:C(N(CC(C)C)N=O)C(C)C

Mass

MS-NW-0696          
n-nitrosodiisobutylamine
C8H18N2O            (Mass of molecular ion:    158)

   Source Temperature: 200 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       3.5
      18.0       4.2
      27.0      16.7
      28.0       7.0
      29.0      31.2
      30.0      47.9
      31.0       1.1
      32.0       1.0
      39.0      13.7
      40.0       2.2
      41.0      55.8
      42.0      61.6
      43.0      97.5
      44.0       5.5
      53.0       1.4
      54.0       1.1
      55.0      14.7
      56.0      22.6
      57.0     100.0
      58.0       5.1
      68.0       1.2
      70.0       6.2
      71.0       1.1
      72.0       4.7
      73.0      12.8
      74.0       1.0
      84.0      57.4
      85.0      14.1
      86.0      19.0
      87.0       1.4
      99.0       1.2
     103.0      10.0
     115.0      24.6
     116.0       1.8
     141.0       5.1
     158.0       5.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₁₈ N₂ O	0.05 ml : 0.5 ml CDCl₃
N-nitrosodiisobutylamine

    Assign.     Shift(ppm)

      A             3.907
      B             3.405
      C             2.12
      D             2.04
      E             0.960
      F             0.863
     
     J(A,C)=7.6HZ
     J(B,D)=7.6HZ
     J(C,E)=6.7HZ
     J(D,F)=6.8HZ

     Hz     ppm     Int.

   1565.31   3.917    427
   1557.74   3.898    430
   1364.75   3.415    434
   1357.18   3.396    430
    862.43   2.158     30
    855.10   2.140     59
    848.39   2.123     78
    841.67   2.107     63
    834.96   2.090     35
    834.23   2.088     33
    828.98   2.075     34
    828.37   2.073     34
    821.66   2.056     61
    814.94   2.040     79
    808.11   2.023     63
    801.39   2.006     30
    800.66   2.004     31
    386.96   0.969   1000
    380.25   0.952    930
    348.14   0.872    976
    341.31   0.855    919

in CDCl3