2217-07-4

N,N-二丙基苯胺(2217-07-4)核磁圖(¹³CNMR)

產(chǎn)品名稱:N,N-二丙基苯胺

CAS:2217-07-4

分子式:C12H19N

分子量: 177.29

InChI:InChI=1S/C12H19N/c1-3-10-13(11-4-2)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3

InChIKey: MMFBQHXDINNBMW-UHFFFAOYSA-N

Smiles:C1(N(CCC)CCC)=CC=CC=C1

Mass

MS-NW-9297          
N,N-dipropylaniline
C12H19N             (Mass of molecular ion:    177)

   Source Temperature: 240 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0       4.9
      28.0       1.1
      39.0       2.2
      41.0       7.6
      42.0       1.1
      43.0      10.8
      51.0       4.2
      65.0       1.5
      77.0      14.6
      78.0       2.6
      79.0       5.4
      91.0       3.3
     104.0       5.1
     105.0       2.4
     106.0      69.2
     107.0       5.5
     118.0       1.8
     120.0       9.9
     132.0       1.1
     134.0       2.7
     146.0       1.0
     148.0     100.0
     149.0      11.3
     177.0      19.7
     178.0       2.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₂ H₁₉ N	10.6 mol% in CDCl₃
N,N-dipropylaniline

    Assign.     Shift(ppm)

      A             0.902
      B             1.59
      C             3.19
      D          6.51 to 6.77
      E             7.18

     Hz     ppm     Int.

    652.00   7.281     95
    651.38   7.274     95
    649.31   7.251     50
    645.25   7.205    104
    644.81   7.200    134
    643.56   7.186    141
    642.56   7.175    247
    640.50   7.152     45
    638.38   7.128     72
    636.38   7.106    133
    635.94   7.101    178
    635.44   7.096    204
    601.38   6.715    216
    593.81   6.631    185
    590.13   6.590     43
    587.81   6.564     39
    586.88   6.553     47
    586.75   6.552     47
    294.31   3.287    295
    286.88   3.204    294
    279.06   3.116    371
    161.50   1.804     39
    161.38   1.802     39
    153.44   1.714    121
    147.38   1.646    134
    145.94   1.630    175
    143.31   1.601     55
    141.44   1.580     76
    140.31   1.567    135
    138.50   1.547    206
    136.94   1.530    102
    133.50   1.491     59
    130.81   1.461    146
    124.56   1.391     44
    123.56   1.380     40
     88.00   0.983    340
     87.25   0.975    609
     86.56   0.967    401
     84.75   0.947     52
     83.69   0.935     40
     80.13   0.895   1000
     72.63   0.811    343
     71.56   0.800    222

in CDCl3