14191-95-8

对羟基苯乙腈(14191-95-8)核磁图(¹HNMR)

产品名称:对羟基苯乙腈

CAS:14191-95-8

分子式:C8H7NO

分子量: 133.15

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

InChIKey: AYKYOOPFBCOXSL-UHFFFAOYSA-N

Smiles:C1(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

    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