621-77-2

三戊胺(621-77-2)质谱(MS)

产品名称:三戊胺

CAS:621-77-2

分子式:C15H33N

分子量: 227.43

InChI:InChI=1S/C15H33N/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3/h4-15H2,1-3H3

InChIKey: OOHAUGDGCWURIT-UHFFFAOYSA-N

Smiles:C(N(CCCCC)CCCCC)CCCC

Mass

MS-NW-5426          
tripentylamine
C15H33N             (Mass of molecular ion:    227)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      18.0       1.3
      27.0       3.1
      28.0       1.1
      29.0       6.8
      30.0       5.4
      39.0       1.5
      41.0       9.1
      42.0       5.6
      43.0      19.8
      44.0       9.1
      55.0       2.8
      56.0       2.0
      57.0       2.3
      58.0       5.4
      69.0       1.7
      70.0       1.8
      71.0       1.5
      84.0       5.8
      98.0       2.0
     100.0       3.6
     112.0       3.7
     114.0      24.9
     115.0       2.2
     156.0       1.0
     168.0       2.3
     170.0     100.0
     171.0      12.6
     196.0       3.1
     226.0       1.1
     227.0       3.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₅ H₃₃ N	0.04 ml : 0.5 ml CDCl₃
tripentylamine

    Assign.     Shift(ppm)

      A             2.38
      B          1.66 to 1.06
      C             0.90

     Hz     ppm     Int.

    221.75   2.476    134
    219.00   2.446     92
    217.44   2.428    108
    214.81   2.399    242
    212.88   2.377    186
    209.63   2.341     82
    206.81   2.310    277
    142.19   1.588     43
    139.13   1.554     34
    138.75   1.550     36
    135.75   1.516    103
    134.06   1.497     94
    132.56   1.481     87
    130.06   1.453    162
    128.75   1.438    141
    126.94   1.418    180
    124.75   1.393    215
    119.88   1.339    368
    118.13   1.320    459
    115.81   1.294    610
    110.56   1.235    227
    109.19   1.220    203
    105.44   1.178    124
    102.81   1.148     62
    102.63   1.146     62
    100.94   1.128     45
    100.50   1.123     45
     99.19   1.108     38
     98.75   1.103     39
     98.25   1.098     39
     97.56   1.090     40
     97.31   1.087     40
     96.38   1.077     34
     95.63   1.068     34
     95.19   1.063     32
     92.69   1.035     42
     92.56   1.034     42
     91.13   1.018     34
     90.25   1.008     36
     85.44   0.954    253
     84.13   0.940    214
     82.38   0.920    198
     79.94   0.893   1000
     73.75   0.824    185
     72.69   0.812    183
     69.94   0.781     66

in CDCl3