6-甲基喹啉(91-62-3)Raman光譜

產(chǎn)品名稱:6-甲基喹啉

CAS:91-62-3

分子式:C10H9N

分子量: 143.19

InChI:InChI=1S/C10H9N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h2-7H,1H3

InChIKey: LUYISICIYVKBTA-UHFFFAOYSA-N

Smiles:N1C2C(=CC(C)=CC=2)C=CC=1

Mass

MS-NW-0152          
6-methylquinoline
C10H9N              (Mass of molecular ion:    143)

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

      18.0       1.4
      28.0       2.1
      38.0       1.0
      39.0       3.8
      50.0       2.2
      51.0       3.0
      57.5       2.1
      58.5       5.0
      62.0       2.2
      63.0       5.6
      64.0       1.5
      65.0       1.9
      70.5       3.0
      71.5       3.9
      74.0       1.3
      75.0       1.7
      76.0       1.2
      77.0       1.1
      87.0       1.2
      88.0       1.2
      89.0       6.0
      90.0       1.5
     113.0       1.4
     114.0       2.2
     115.0      14.1
     116.0       5.5
     117.0       3.8
     140.0       2.4
     141.0       7.8
     142.0      47.8
     143.0     100.0
     144.0      11.6

90 MHz in CDCl3

400 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₉ N	0.029 g : 0.5 ml CDCl₃
6-methylquinoline

    Assign.     Shift(ppm)

      A             8.833
      B             8.03
      C             7.99
      D             7.55
      E             7.53
      F             7.328
      G             2.520
     
     J(A,B) = 1.7 HZ.
     J(A,F) = 4.3 HZ.
     J(B,F) = 8.3 HZ

     Hz     ppm     Int.

    794.19   8.868    123
    792.50   8.849    137
    789.94   8.821    132
    788.19   8.801    140
    724.31   8.088    101
    723.63   8.080     85
    722.50   8.068    129
    721.69   8.059    148
    718.25   8.020     50
    716.13   7.997    139
    714.81   7.982    149
    712.19   7.953    195
    679.38   7.586     62
    677.38   7.564    369
    676.31   7.552    235
    675.31   7.541    179
    674.38   7.530    131
    670.31   7.485    134
    668.31   7.463     73
    662.13   7.394    195
    657.88   7.346    169
    653.88   7.302    166
    649.63   7.254    159
    225.75   2.521   1000

¹H NMR	399.65 MHz
C₁₀ H₉ N	28.8 mg : 0.5 ml CDCl₃
6-methylquinoline

    Assign.     Shift(ppm)

      A             8.843
      B             8.044
      C             8.004
      D             7.55
      E             7.54
      F             7.339
      G             2.523
     
     J(A,F)=4.3HZ. J(A,B)=1.7HZ. J(B,F)=8.2HZ.
     J(E,D)=2.0HZ. J(C,E)=8.4HZ.
     D AND E WERE CONFIRMED BY LAOCN PROGRAM.

     Hz     ppm     Int.

   3537.11   8.851    129
   3535.40   8.847    139
   3532.84   8.840    143
   3531.13   8.836    144
   3219.60   8.057    111
   3218.75   8.054    114
   3218.14   8.053    112
   3211.43   8.036    123
   3210.45   8.034    121
   3209.84   8.032    121
   3203.13   8.015    174
   3194.70   7.994    185
   3019.53   7.556    230
   3018.55   7.553    266
   3017.70   7.551    321
   3009.03   7.530    148
   3007.08   7.525    115
   2939.21   7.355    186
   2934.94   7.344    183
   2930.91   7.334    176
   2926.76   7.324    173
   1008.54   2.524   1000

in CDCl3