122-97-4

3-苯丙醇(122-97-4)紅外圖譜(IR1)

產(chǎn)品名稱:3-苯丙醇

CAS:122-97-4

分子式:C9H12O

分子量: 136.19

InChI:InChI=1S/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2

InChIKey: VAJVDSVGBWFCLW-UHFFFAOYSA-N

Smiles:C1(CCCO)=CC=CC=C1

Mass

MS-NW-0657          
3-phenyl-1-propanol
C9H12O              (Mass of molecular ion:    136)

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

      15.0       1.5
      17.0       1.4
      18.0       4.6
      26.0       1.7
      27.0      13.6
      28.0       1.6
      29.0       4.8
      31.0      12.4
      37.0       1.3
      38.0       3.3
      39.0      21.6
      40.0       1.9
      41.0       5.1
      43.0       2.1
      44.0       1.0
      45.0       2.0
      50.0       9.3
      51.0      22.8
      52.0       5.7
      53.0       3.2
      57.0       1.7
      58.0       1.1
      61.0       1.3
      62.0       3.7
      63.0      10.2
      64.0       2.4
      65.0      25.7
      66.0       2.2
      74.0       2.8
      75.0       2.2
      76.0       2.2
      77.0      26.9
      78.0      19.6
      79.0      18.3
      80.0       1.5
      89.0       5.6
      90.0       3.0
      91.0     100.0
      92.0      44.4
      93.0       3.3
     102.0       2.3
     103.0      14.7
     104.0       7.0
     105.0      15.4
     106.0       1.5
     107.0       1.5
     115.0       8.3
     116.0       3.2
     117.0      79.6
     118.0      61.8
     119.0       5.8
     136.0      14.6
     137.0       1.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₂ O	0.04 ml : 0.5 ml CDCl₃
3-phenyl-1-propanol

    Assign.     Shift(ppm)

      A          7.04 to 7.39
      B             3.625
      C             2.674
      D             2.02
      E             1.87

     Hz     ppm     Int.

    658.75   7.356     51
    656.25   7.328     32
    655.38   7.318     34
    653.44   7.297     52
    651.81   7.278     80
    650.63   7.265    160
    648.31   7.239    176
    646.38   7.218   1000
    645.19   7.204    997
    641.75   7.166    146
    641.19   7.160    126
    640.06   7.147     81
    639.31   7.139     96
    638.63   7.131     69
    637.69   7.121     87
    331.38   3.701    312
    324.94   3.629    730
    318.50   3.557    382
    248.00   2.770    144
    240.94   2.691    278
    238.69   2.666    147
    232.69   2.599    242
    181.00   2.021    535
    174.56   1.950    179
    173.94   1.943    162
    172.50   1.927    120
    168.25   1.879    138
    167.88   1.875    137
    165.63   1.850    215
    161.81   1.807     59
    159.25   1.779    160
    152.88   1.708     44
    151.81   1.696     44

in CDCl3