496-15-1

吲哚啉(496-15-1)質(zhì)譜(MS)

產(chǎn)品名稱(chēng):吲哚啉

CAS:496-15-1

分子式:C8H9N

分子量: 119.16

InChI:InChI=1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,9H,5-6H2

InChIKey: LPAGFVYQRIESJQ-UHFFFAOYSA-N

Smiles:N1C2=C(C=CC=C2)CC1

Mass

MS-NW-3360          
indoline
C8H9N               (Mass of molecular ion:    119)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      27.0       1.1
      28.0       1.5
      38.0       1.7
      39.0       5.1
      41.0       1.0
      43.0       2.6
      50.0       1.9
      51.0       3.2
      52.0       1.7
      58.0       1.3
      58.5       7.8
      59.0       3.5
      59.5       2.3
      62.0       2.0
      63.0       5.7
      64.0       2.4
      65.0       6.6
      77.0       1.2
      89.0       8.2
      90.0       7.8
      91.0      21.9
      92.0       2.3
     116.0       1.8
     117.0      22.2
     118.0     100.0
     119.0      63.8
     120.0       5.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₉ N	0.04 ml : 0.5 ml CDCl₃
indoline

    Assign.     Shift(ppm)

      A             7.08
      B             6.98
      C             6.69
      D             6.61
      E             3.64
      F             3.49
      G             3.00

     Hz     ppm     Int.

    641.94   7.168     32
    640.69   7.154     80
    639.69   7.143    192
    638.63   7.131    252
    638.25   7.127    270
    637.56   7.119    245
    636.50   7.107    121
    635.56   7.097     98
    634.81   7.089    155
    634.00   7.080    178
    632.75   7.066    285
    632.06   7.058    356
    631.19   7.048    431
    630.50   7.040    372
    629.44   7.029    178
    627.94   7.012    243
    627.25   7.004    437
    626.50   6.996    355
    625.88   6.989    277
    622.69   6.953     32
    622.25   6.948     34
    621.56   6.941     31
    620.44   6.928    184
    619.81   6.921    353
    619.06   6.913    306
    618.25   6.904    272
    617.56   6.896    153
    605.13   6.757    352
    603.81   6.742    545
    601.56   6.717     30
    596.88   6.665    523
    594.56   6.639    567
    590.50   6.594    214
    589.25   6.580    198
    587.06   6.555    337
    586.63   6.551    324
    335.31   3.744     32
    325.75   3.638    134
    325.19   3.631    135
    324.81   3.627    135
    323.94   3.618    130
    322.44   3.601    524
    320.75   3.582    527
    316.63   3.536     64
    314.69   3.514    544
    313.44   3.500    678
    312.75   3.493   1000
    312.38   3.488    941
    305.63   3.413    893
    304.56   3.401    916
    274.69   3.068    485
    270.88   3.025     35
    270.56   3.021     36
    267.25   2.985    537
    266.81   2.980    540
    258.81   2.890    193
    258.38   2.885    192

in CDCl3