611-20-1

鄰羥基苯甲腈(611-20-1)紅外圖譜(IR2)

產品名稱:鄰羥基苯甲腈

CAS:611-20-1

分子式:C7H5NO

分子量: 119.12

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

InChIKey: CHZCERSEMVWNHL-UHFFFAOYSA-N

Smiles:C(#N)C1=CC=CC=C1O

Mass

MS-NW-7664          
o-hydroxybenzonitrile
C7H5NO              (Mass of molecular ion:    119)

   Source Temperature: 260 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      26.0       1.9
      27.0       2.5
      28.0       4.3
      29.0       1.7
      37.0       8.1
      38.0      11.6
      39.0      12.7
      40.0       1.7
      41.0       4.9
      42.0       1.0
      44.0       1.0
      44.5       3.0
      45.0       1.0
      45.5       6.4
      49.0       1.8
      50.0       5.9
      51.0       4.0
      52.0       9.3
      53.0       3.4
      61.0       4.1
      62.0       6.2
      63.0      22.2
      64.0      31.5
      65.0       7.4
      66.0       1.1
      74.0       1.8
      75.0       3.3
      76.0       2.6
      87.0       1.2
      88.0       1.4
      90.0       5.8
      91.0      91.4
      92.0      12.5
     119.0     100.0
     120.0       9.8

90 MHz in CDCl3

400 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₅ N O	0.041 g : 0.5 ml CDCl₃
o-hydroxybenzonitrile

    Assign.     Shift(ppm)

      A             7.50
      B             7.45
      C             7.10
      D             7.06
      E             6.95
     
     CONFIRMED BY LAOCN PROGRAM.

     Hz     ppm     Int.

    686.88   7.670     35
    685.19   7.651     36
    675.63   7.544    816
    673.81   7.524    470
    668.63   7.466    996
    667.88   7.458   1000
    666.94   7.447    654
    666.19   7.439    708
    661.31   7.384    595
    659.50   7.364    375
    653.50   7.297     77
    645.00   7.202     40
    644.31   7.195     41
    643.00   7.180     41
    641.38   7.162     45
    636.25   7.105    564
    635.56   7.097    726
    632.88   7.067    204
    630.19   7.037    533
    629.06   7.024    483
    627.69   7.009    464
    626.44   6.995    401
    623.31   6.960    388
    621.69   6.942    561
    618.00   6.901     79
    615.25   6.870    248
    614.19   6.858    222
    610.81   6.821     40

¹H NMR	399.65 MHz
C₇ H₅ N O	0.049 g : 0.5 ml CDCl₃
o-hydroxybenzonitrile

    Assign.     Shift(ppm)

      A             7.50
      B             7.47
      C             7.059
      D             7.04
      E             6.961

     Hz     ppm     Int.

   3000.24   7.508    543
   2998.78   7.504    654
   2992.43   7.488    622
   2990.97   7.484   1000
   2989.38   7.480    366
   2986.69   7.474    106
   2986.33   7.473    106
   2983.52   7.466    481
   2982.54   7.463    515
   2981.93   7.462    452
   2980.96   7.459    395
   2975.10   7.445    395
   2973.39   7.440    322
   2825.32   7.070    614
   2816.89   7.049    557
   2789.79   6.981    467
   2788.82   6.979    455
   2782.10   6.962    758
   2781.37   6.960    727
   2777.71   6.951     84
   2777.34   6.950     84
   2774.54   6.943    404
   2773.68   6.941    386

in CDCl3