873-62-1

3-羟基苯腈(873-62-1)质谱(MS)

产品名称:3-羟基苯腈

CAS:873-62-1

分子式:C7H5NO

分子量: 119.12

InChI:InChI=1S/C7H5NO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H

InChIKey: SGHBRHKBCLLVCI-UHFFFAOYSA-N

Smiles:C(#N)C1=CC=CC(O)=C1

Mass

MS-NW-8723          
m-hydroxybenzonitrile
C7H5NO              (Mass of molecular ion:    119)

   Source Temperature: 270 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       1.4
      37.0       2.9
      38.0       4.3
      39.0       6.2
      40.0       1.1
      41.0       2.4
      45.5       1.3
      50.0       2.7
      51.0       2.2
      52.0       3.0
      53.0       1.6
      59.5       1.9
      61.0       1.5
      62.0       2.7
      63.0       9.0
      64.0      16.0
      65.0       3.6
      75.0       1.8
      76.0       1.4
      80.0       1.3
      90.0       4.4
      91.0      21.0
      92.0       3.6
     119.0     100.0
     120.0       8.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₅ N O	0.038 g : 0.5 ml CDCl₃
m-hydroxybenzonitrile

    Assign.     Shift(ppm)

      A             7.349
      B             7.235
      C             7.178
      D             7.151
      E             6.85

     Hz     ppm     Int.

   2946.41   7.373    401
   2945.92   7.372    410
   2938.23   7.353   1000
   2930.54   7.333    650
   2930.05   7.332    704
   2895.75   7.246    508
   2894.29   7.243    754
   2893.19   7.240    658
   2888.06   7.227    406
   2886.60   7.223    587
   2885.62   7.221    476
   2870.61   7.183    590
   2869.63   7.181    536
   2868.53   7.178    892
   2868.04   7.177    873
   2867.07   7.174    831
   2866.58   7.173    731
   2863.16   7.165    671
   2862.18   7.162    709
   2860.60   7.158    447
   2859.62   7.156    412
   2854.98   7.144    506
   2854.00   7.142    523
   2852.42   7.138    429
   2851.44   7.135    390
   2738.53   6.853    126

in CDCl3