4-苯基丁胺(13214-66-9)核磁圖(¹HNMR)

產(chǎn)品名稱:4-苯基丁胺

CAS:13214-66-9

分子式:C10H15N

分子量: 149.23

InChI:InChI=1S/C10H15N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,11H2

InChIKey: AGNFWIZBEATIAK-UHFFFAOYSA-N

Smiles:C1(CCCCN)=CC=CC=C1

Mass

MS-NW-5567          
4-phenylbutylamine
C10H15N             (Mass of molecular ion:    149)

   Source Temperature: 250 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      18.0       3.1
      27.0       1.6
      28.0       2.8
      30.0     100.0
      31.0       2.1
      39.0       3.5
      41.0       2.1
      42.0       1.0
      43.0       4.0
      44.0       1.7
      45.0      29.5
      51.0       2.7
      56.0       2.5
      63.0       1.5
      65.0       5.4
      77.0       3.0
      78.0       1.7
      79.0       1.2
      89.0       1.0
      91.0      14.5
      92.0       1.8
     103.0       1.5
     104.0      12.2
     105.0       2.5
     106.0       1.8
     115.0       1.2
     117.0       2.3
     131.0       1.9
     132.0       3.9
     149.0      15.8
     150.0       1.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₅ N	0.04 ml : 0.5 ml CDCl₃
4-phenylbutylamine

    Assign.     Shift(ppm)

      A          7.27 to 7.11
      B             2.68
      C             2.64
      D          1.67 to 1.45
      E             1.29

     Hz     ppm     Int.

    658.69   7.355     92
    656.06   7.326     47
    655.44   7.319     46
    653.44   7.297     74
    651.13   7.271    191
    649.25   7.250    213
    648.19   7.238    202
    646.19   7.216    979
    644.88   7.201   1000
    641.13   7.159    160
    640.63   7.154    141
    639.31   7.139     96
    638.56   7.130    118
    637.88   7.123     85
    637.38   7.117    102
    637.06   7.114    107
    635.88   7.101     53
    632.13   7.059     47
    248.44   2.775    174
    241.88   2.701    435
    235.06   2.625    438
    231.13   2.581     64
    230.56   2.575     51
    227.69   2.543    233
    157.56   1.760     65
    155.63   1.738     46
    154.44   1.725     56
    152.88   1.708     72
    149.75   1.673    109
    148.81   1.662     95
    147.88   1.652     91
    147.00   1.642     88
    145.38   1.624    135
    144.94   1.619    131
    143.44   1.602    208
    142.56   1.592    194
    142.06   1.587    194
    141.63   1.582    200
    139.38   1.557    318
    138.25   1.544    177
    136.56   1.525    270
    134.75   1.505    144
    133.25   1.488     85
    132.44   1.479    105
    131.75   1.472    120
    130.69   1.460    134
    129.94   1.451    112
    129.31   1.444     99
    127.56   1.425     72
    125.38   1.400     72
    124.94   1.396     75
    122.38   1.367     56
    121.44   1.356     57
    121.06   1.352     52
    115.81   1.294    701

in CDCl3