16096-32-5

4-甲基吲哚(16096-32-5)紅外圖譜(IR1)

產(chǎn)品名稱:4-甲基吲哚

CAS:16096-32-5

分子式:C9H9N

分子量: 131.17

InChI:InChI=1S/C9H9N/c1-7-3-2-4-9-8(7)5-6-10-9/h2-6,10H,1H3

InChIKey: PZOUSPYUWWUPPK-UHFFFAOYSA-N

Smiles:N1C2=C(C(C)=CC=C2)C=C1

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-1272          
4-methylindoile
C9H9N               (Mass of molecular ion:    131)

   Source Temperature: 230 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      39.0       1.5
      50.0       1.7
      51.0       4.5
      52.0       2.7
      62.0       1.1
      63.0       2.3
      64.0       1.7
      64.5       4.9
      65.0       5.6
      65.5       4.4
      74.0       1.1
      75.0       1.6
      76.0       1.9
      77.0      11.6
      78.0       2.2
     101.0       1.4
     102.0       4.6
     103.0      10.5
     104.0       2.2
     128.0       3.2
     129.0       1.7
     130.0     100.0
     131.0      81.8
     132.0       7.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₉ N	0.05 ml : 0.5 ml CDCl₃
4-methylindoile

    Assign.     Shift(ppm)

      A             7.55
      B             7.066
      C             6.998
      D             6.897
      E             6.872
      F             6.480
      G             2.512
     
     J(A,F)=2.4HZ
     J(C,F)=1.2HZ
     J(E,F)=3.2HZ

     Hz     ppm     Int.

   3014.04   7.542     49
   2832.52   7.088    127
   2825.44   7.070    175
   2824.34   7.068    216
   2817.38   7.050    254
   2800.29   7.007    240
   2799.68   7.006    236
   2792.11   6.987    142
   2791.50   6.985    139
   2760.38   6.907    186
   2759.40   6.905    235
   2758.42   6.903    167
   2753.30   6.890    160
   2752.44   6.888    204
   2751.46   6.885    148
   2750.49   6.883     76
   2749.27   6.880    214
   2746.58   6.873    259
   2746.22   6.872    256
   2743.53   6.865    215
   2592.90   6.488    173
   2591.92   6.486    178
   2590.82   6.483    188
   2589.72   6.480    276
   2588.62   6.478    182
   2587.52   6.475    176
   2586.55   6.473    161
   1004.15   2.513   1000

in CDCl3