三辛胺(1116-76-3)質(zhì)譜(MS)

產(chǎn)品名稱(chēng):三辛胺

CAS:1116-76-3

分子式:C24H51N

分子量: 353.67

InChI:InChI=1S/C24H51N/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3

InChIKey: XTAZYLNFDRKIHJ-UHFFFAOYSA-N

Smiles:C(N(CCCCCCCC)CCCCCCCC)CCCCCCC

Mass

MS-NW-1788          
trioctylamine
C24H51N             (Mass of molecular ion:    353)

   Source Temperature: 210 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      27.0       1.1
      29.0       4.0
      30.0       3.7
      41.0       6.4
      42.0       2.2
      43.0      11.2
      44.0      10.5
      55.0       4.4
      56.0       1.7
      57.0       6.6
      58.0       5.8
      69.0       2.8
      70.0       1.8
      71.0       2.6
      84.0       2.1
      98.0       2.1
     112.0       3.7
     126.0       1.4
     142.0      10.8
     143.0       1.1
     154.0       2.6
     156.0       8.6
     157.0       1.0
     226.0       1.8
     240.0       1.2
     252.0       1.7
     254.0     100.0
     255.0      19.1
     256.0       1.8
     352.0       1.7
     353.0       2.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₂₄ H₅₁ N	0.06 ml : 0.5 ml CDCl₃
trioctylamine

    Assign.     Shift(ppm)

      A             2.37
      B             1.45
      C             1.27
      D             0.88

     Hz     ppm     Int.

    219.88   2.456     44
    219.19   2.448     43
    218.19   2.437     42
    217.69   2.431     41
    217.38   2.428     40
    217.06   2.424     41
    216.38   2.417     45
    216.06   2.413     47
    213.19   2.381     87
    212.75   2.376     87
    212.38   2.372     85
    211.50   2.362     76
    205.63   2.297     84
    129.25   1.444     53
    128.94   1.440     54
    127.94   1.429     57
    126.69   1.415     64
    125.63   1.403     69
    125.13   1.398     71
    124.50   1.391     73
    124.19   1.387     76
    123.44   1.379     80
    122.81   1.372     82
    113.94   1.273   1000
     84.06   0.939    100
     83.69   0.935    100
     82.44   0.921     90
     81.88   0.915     87
     81.38   0.909     86
     80.63   0.901     85
     78.81   0.880    326
     74.81   0.836     58
     74.50   0.832     56
     74.13   0.828     57
     72.63   0.811     75

in CDCl3