1634-82-8

2-(4-羟基苯唑）苯甲酸(1634-82-8)质谱(MS)

产品名称:2-(4-羟基苯唑）苯甲酸

CAS:1634-82-8

分子式:C13H10N2O3

分子量: 242.23

InChI:InChI=1S/C13H10N2O3/c16-10-7-5-9(6-8-10)14-15-12-4-2-1-3-11(12)13(17)18/h1-8,16H,(H,17,18)

InChIKey: DWQOTEPNRWVUDA-UHFFFAOYSA-N

Smiles:C(O)(=O)C1=CC=CC=C1N=NC1=CC=C(O)C=C1

¹HNMR

IR1

IR2

Mass

MS-NW-0647          
o-(p-hydroxyphenylazo)benzoic acid
C13H10N2O3          (Mass of molecular ion:    242)

   Source Temperature: 210 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      18.0       3.3
      26.0       1.0
      27.0       2.1
      28.0       2.3
      37.0       1.1
      38.0       3.0
      39.0      25.5
      40.0       1.2
      44.0       1.6
      50.0       4.3
      51.0       6.4
      52.0       5.9
      53.0       4.1
      55.0       1.0
      62.0       1.6
      63.0       5.9
      64.0       5.9
      65.0      51.5
      66.0       3.4
      74.0       1.0
      75.0       1.6
      76.0       3.6
      77.0       6.0
      78.0       1.2
      79.0       1.1
      80.0       1.1
      91.0       1.1
      92.0       3.5
      93.0     100.0
      94.0       7.3
     104.0       1.6
     105.0       1.5
     109.0       1.3
     115.0       2.7
     119.0       2.1
     121.0      80.0
     122.0       6.0
     137.0       1.2
     139.0       2.8
     140.0       1.5
     141.0       4.1
     149.0       1.1
     168.0       2.6
     169.0       2.1
     181.0       2.2
     197.0       7.3
     198.0       4.7
     226.0       2.3
     242.0      30.3
     243.0       4.6

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₃ H₁₀ N₂ O₃	0.026 g : 0.5 ml DMSO-d₆
o-(p-hydroxyphenylazo)benzoic acid

    Assign.     Shift(ppm)

      A             7.79
      B             7.77
      C             7.637
      D             7.56
      E             7.54
      F             6.982

     Hz     ppm     Int.

   3120.00   7.807     82
   3117.01   7.800    747
   3114.87   7.794    236
   3109.96   7.782    408
   3109.53   7.781    393
   3108.03   7.777   1000
   3105.04   7.770    118
   3102.05   7.762    269
   3100.77   7.759    289
   3062.09   7.662     94
   3060.60   7.659     99
   3055.04   7.645    153
   3053.55   7.641    212
   3052.48   7.638    191
   3049.49   7.631     30
   3046.92   7.624    222
   3045.43   7.621    209
   3025.55   7.571    387
   3021.49   7.561    250
   3020.21   7.558    172
   3018.50   7.553    229
   3017.43   7.551    219
   3014.23   7.543    278
   3012.95   7.539    238
   3006.96   7.524    135
   3005.47   7.521    117
   2798.19   7.002     84
   2795.20   6.995    770
   2793.06   6.989    239
   2788.36   6.978    228
   2786.23   6.972    751
   2783.24   6.965     89

KBr disc