95-20-5

2-甲基吲哚(95-20-5)质谱(MS)

产品名称:2-甲基吲哚

CAS:95-20-5

分子式:C9H9N

分子量: 131.17

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

InChIKey: BHNHHSOHWZKFOX-UHFFFAOYSA-N

Smiles:N1C2=C(C=CC=C2)C=C1C

Mass

MS-IW-4326          
2-methylindole
C9H9N               (Mass of molecular ion:    131)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      39.0       1.5
      50.0       1.4
      51.0       4.0
      52.0       1.7
      62.0       1.0
      63.0       2.6
      64.0       1.8
      64.5       5.3
      65.0       6.5
      65.5       5.0
      75.0       1.2
      76.0       1.5
      77.0      10.7
      78.0       1.4
      89.0       3.0
      90.0       2.2
     101.0       1.3
     102.0       3.8
     103.0      10.6
     104.0       2.0
     128.0       3.8
     129.0       1.9
     130.0     100.0
     131.0      90.6
     132.0       8.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₉ N	16.9 mg : 0.5 ml CDCl₃
2-methylindole

    Assign.     Shift(ppm)

      A             7.73
      B             7.506
      C             7.238
      D             7.10
      E             7.06
      F             6.202
      G             2.396

     Hz     ppm     Int.

   3005.00   7.520     78
   3004.52   7.518     83
   2997.56   7.501     89
   2997.07   7.500     88
   2996.09   7.497     89
   2896.97   7.249     76
   2889.53   7.231     99
   2847.17   7.125     46
   2845.70   7.121     54
   2840.09   7.107    109
   2838.62   7.103    103
   2832.40   7.088    101
   2830.32   7.082    161
   2828.74   7.079    146
   2822.63   7.063    122
   2821.41   7.060    134
   2815.55   7.046     61
   2814.33   7.042     53
   2478.52   6.202     68
    957.52   2.396   1000

in CDCl3