2411-36-1

三庚胺(2411-36-1)核磁图(¹HNMR)

产品名称:三庚胺

CAS:2411-36-1

分子式:C21H45N

分子量: 311.59

InChI:InChI=1S/C21H45N/c1-4-7-10-13-16-19-22(20-17-14-11-8-5-2)21-18-15-12-9-6-3/h4-21H2,1-3H3

InChIKey: CLZGJKHEVKJLLS-UHFFFAOYSA-N

Smiles:C(N(CCCCCCC)CCCCCCC)CCCCCC

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-3869          
triheptylamine
C21H45N             (Mass of molecular ion:    311)

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

      29.0       3.3
      30.0       2.2
      41.0       6.0
      42.0       2.4
      43.0       8.1
      44.0       5.5
      55.0       5.0
      56.0       1.5
      57.0       8.8
      58.0       4.9
      69.0       1.0
      70.0       1.6
      84.0       2.4
      98.0       4.4
     112.0       3.1
     126.0       1.0
     128.0       2.5
     140.0       3.3
     142.0      12.6
     143.0       1.3
     212.0       1.2
     224.0       2.3
     226.0     100.0
     227.0      17.0
     228.0       1.3
     252.0       1.5
     310.0       1.6
     311.0       2.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₁ H₄₅ N	0.05 ml : 0.5 ml CDCl₃
triheptylamine

    Assign.     Shift(ppm)

      A             2.375
      B             1.28
      C             1.42
      D             0.881

     Hz     ppm     Int.

    957.15   2.395    337
    949.58   2.377    337
    947.63   2.372    243
    941.89   2.357    365
    581.30   1.455     64
    573.36   1.435    149
    566.53   1.418    207
    563.96   1.412    174
    559.33   1.400    167
    552.49   1.383     76
    536.13   1.342     39
    528.81   1.324    117
    520.75   1.304    267
    511.11   1.279   1000
    359.50   0.900    343
    352.78   0.883    931
    345.58   0.865    431
    335.82   0.841     26

in CDCl3