87-17-2

水楊酰苯胺(87-17-2)紅外圖譜(IR1)

產(chǎn)品名稱:水楊酰苯胺

CAS:87-17-2

分子式:C13H11NO2

分子量: 213.23

InChI:InChI=1S/C13H11NO2/c15-12-9-5-4-8-11(12)13(16)14-10-6-2-1-3-7-10/h1-9,15H,(H,14,16)

InChIKey: WKEDVNSFRWHDNR-UHFFFAOYSA-N

Smiles:C(NC1=CC=CC=C1)(=O)C1=CC=CC=C1O

Mass

MS-NW-0212          
salicylanilide
C13H11NO2           (Mass of molecular ion:    213)

   Source Temperature: 190 °C
   Sample Temperature:   0 °C
   Direct, 75 eV

      18.0       1.8
      38.0       1.8
      39.0      12.1
      50.0       1.2
      51.0       3.0
      53.0       1.8
      62.0       1.0
      63.0       3.8
      64.0       3.3
      65.0      20.2
      66.0       4.4
      77.0       2.8
      92.0       3.8
      93.0     100.0
      94.0       7.2
     120.0       1.1
     121.0      31.6
     122.0       2.5
     213.0      24.0
     214.0       3.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₁₁ N O₂	0.042 g : 0.5 ml CDCl₃
salicylanilide

    Assign.     Shift(ppm)

      A            11.99
      B             8.08
      C             7.53
      D             7.52
      E             7.410
      F             7.356
      G             7.175
      J             7.000
      K             6.878

     Hz     ppm     Int.

   4791.63  11.990    647
   3228.68   8.079    149
   3029.76   7.582     30
   3029.21   7.580     31
   3028.29   7.578     37
   3027.01   7.575     40
   3026.46   7.573     38
   3026.09   7.572     38
   3024.99   7.570     40
   3017.67   7.551    506
   3016.39   7.548    645
   3014.55   7.543    225
   3012.91   7.539    105
   3009.79   7.532    604
   3008.88   7.529    936
   3007.78   7.527   1000
   3005.76   7.521    143
   3001.37   7.510    370
   2999.72   7.506    393
   2972.43   7.438     36
   2970.59   7.433    288
   2968.95   7.429    279
   2965.65   7.421     46
   2963.27   7.415    330
   2962.17   7.412    399
   2961.80   7.411    385
   2960.70   7.409    317
   2958.32   7.403     51
   2957.59   7.401     47
   2955.03   7.395    332
   2953.38   7.390    336
   2949.35   7.380    130
   2947.52   7.376    533
   2945.50   7.371    202
   2942.20   7.362    154
   2940.01   7.357    721
   2939.27   7.355    605
   2933.41   7.340    217
   2931.58   7.336    535
   2929.56   7.331     86
   2877.73   7.201     30
   2875.71   7.196    192
   2874.43   7.193    335
   2873.33   7.190    210
   2868.57   7.178    189
   2867.84   7.176    222
   2867.11   7.175    497
   2866.37   7.173    259
   2865.64   7.171    173
   2860.88   7.159    133
   2859.60   7.156    231
   2858.50   7.153    134
   2802.08   7.012    426
   2801.35   7.010    467
   2800.98   7.009    454
   2796.40   6.998     33
   2793.84   6.991    405
   2792.92   6.989    424
   2792.56   6.988    400
   2756.84   6.899    314
   2755.74   6.896    318
   2752.44   6.888     36
   2749.70   6.881    339
   2748.96   6.879    396
   2748.41   6.878    393
   2747.68   6.876    348
   2741.64   6.861    285
   2740.54   6.858    272

in CDCl3