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Back ChemicalBook Home>CAS DataBase List>122-97-4More Spectrum> 3-Phenyl-1-propanol(122-97-4) 1H NMR

3-Phenyl-1-propanol(122-97-4) 1H NMR

Product Name3-Phenyl-1-propanol

CAS122-97-4

Molecular FormulaC9H12O

Molecular Weight136.19

InChIInChI=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

SmilesC1(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
    ChemicalStructure
        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



CCl4 solution



liquid film



4880 A,100M,liquid



3-Phenyl-1-propanol(122-97-4) 1H NMR Atlas of Related Products

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