16829-91-7

四正辛基碘化銨(16829-91-7)質(zhì)譜(MS)

分子式:C32H68IN

分子量: 593.79

InChI:InChI=1S/C32H68N.HI/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;/h5-32H2,1-4H3;1H/q+1;/p-1

InChIKey: KGPZZJZTFHCXNK-UHFFFAOYSA-M

Smiles:[N+](CCCCCCCC)(CCCCCCCC)(CCCCCCCC)CCCCCCCC.[I-]

Mass

MS-NW-9025          
tetraoctylammonium iodide
C32H68IN            (Mass of molecular ion:    593)

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

      27.0       1.3
      29.0       2.6
      39.0       1.1
      41.0       7.0
      42.0       1.7
      43.0      12.7
      44.0       3.2
      55.0       4.0
      56.0       1.3
      57.0      14.6
      58.0       5.6
      69.0       2.2
      70.0       1.1
      71.0      11.6
      84.0       1.4
      98.0       1.7
     112.0       2.9
     113.0       2.4
     126.0       1.1
     142.0       1.6
     154.0       2.4
     156.0      12.5
     157.0       1.4
     240.0       1.5
     252.0       3.8
     254.0     100.0
     255.0      19.2
     256.0       1.7
     280.0       2.8
     352.0       2.9
     353.0       2.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₃₂ H₆₈ I N	0.035 g : 0.5 ml CDCl₃
tetraoctylammonium iodide

    Assign.     Shift(ppm)

      A             3.356
      B             1.690
      C             1.41
      D             1.37
      E             1.27
      F             0.881

     Hz     ppm     Int.

   1349.85   3.378    143
   1341.43   3.357    135
   1333.01   3.336    147
    689.70   1.726     39
    682.86   1.709     91
    682.37   1.708     91
    682.01   1.707     90
    675.90   1.692    122
    668.21   1.672     99
    659.91   1.652     45
    579.59   1.451     34
    573.97   1.437     82
    573.61   1.436     82
    565.92   1.417    141
    557.86   1.396    163
    557.50   1.395    163
    554.93   1.389    161
    552.37   1.383    174
    546.02   1.367    147
    541.87   1.356    128
    536.99   1.344    123
    530.15   1.327    133
    529.91   1.326    133
    528.08   1.322    141
    520.26   1.302    262
    509.03   1.274    523
    496.70   1.243     74
    491.70   1.231     38
    491.21   1.230     38
    359.25   0.899    289
    352.42   0.882   1000
    345.34   0.865    344

in CDCl3