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Back ChemicalBook Home>CAS DataBase List>14191-95-8More Spectrum> 4-Hydroxybenzyl cyanide(14191-95-8) 1H NMR

4-Hydroxybenzyl cyanide(14191-95-8) 1H NMR

Molecular FormulaC8H7NO

Molecular Weight133.15

InChIInChI=1S/C8H7NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5H2

InChIKey AYKYOOPFBCOXSL-UHFFFAOYSA-N

SmilesC1(CC#N)=CC=C(O)C=C1


  • Mass

    MS-NW-8839          
    (p-hydroxyphenyl)acetonitrile
    C8H7NO              (Mass of molecular ion:    133)
    

       Source Temperature: 280 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          18.0       2.0
          26.0       1.1
          27.0       3.9
          28.0       1.2
          29.0       1.0
          38.0       2.6
          39.0       9.2
          41.0       1.0
          50.0       6.1
          51.0      14.6
          51.5       1.4
          52.0       6.2
          53.0       4.4
          55.0       2.1
          57.0       1.3
          62.0       2.5
          63.0       5.4
          64.0       2.4
          65.0       3.8
          66.0       1.4
          66.5       1.7
          67.0       1.0
          74.0       1.3
          75.0       2.6
          76.0       5.2
          77.0      27.8
          78.0      42.2
          79.0       4.8
          88.0       1.0
          89.0       1.7
          90.0       9.3
          91.0       1.1
         102.0       2.0
         103.0       1.6
         104.0      19.6
         105.0      24.8
         106.0      40.8
         107.0      10.1
         115.0       3.8
         116.0       2.3
         132.0      45.5
         133.0     100.0
         134.0       9.0
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C8 H7 N O 0.035 g : 0.5 ml CDCl3
    (p-hydroxyphenyl)acetonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.142 B 6.834 C 6.20 D 3.669

         Hz     ppm     Int.
    

       2861.82   7.161     49
       2861.21   7.160     44
       2858.89   7.154    430
       2856.69   7.148    149
       2852.29   7.137    158
       2850.10   7.132    487
       2847.78   7.126     57
       2847.17   7.125     64
       2738.40   6.852     72
       2735.47   6.845    608
       2733.28   6.840    192
       2728.88   6.829    178
       2726.68   6.823    523
       2723.75   6.816     62
       2478.76   6.203    224
       1466.31   3.669   1000
    

in CDCl3



KBr disc



nujol mull





4-Hydroxybenzyl cyanide(14191-95-8) 1H NMR Atlas of Related Products

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