611-64-3

9-甲基吖啶(611-64-3)質(zhì)譜(MS)

產(chǎn)品名稱:9-甲基吖啶

CAS:611-64-3

分子式:C14H11N

分子量: 193.24

InChI:InChI=1S/C14H11N/c1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14/h2-9H,1H3

InChIKey: FLDRLXJNISEWNZ-UHFFFAOYSA-N

Smiles:C1C2C(=NC3C(C=2C)=CC=CC=3)C=CC=1

Mass

MS-IW-3231          
9-methylacridine
C14H11N             (Mass of molecular ion:    193)

   Source Temperature: 110 °C
   Sample Temperature:  70 °C
   Direct, 75 eV

      39.0       1.2
      51.0       1.5
      63.0       1.7
      69.5       1.0
      75.0       1.3
      77.0       1.1
      81.0       1.2
      82.0       1.9
      83.0       6.8
      89.0       1.5
      95.0       5.8
      96.0       5.7
     139.0       1.6
     140.0       1.3
     163.0       1.5
     164.0       2.1
     165.0       5.5
     166.0       2.3
     167.0       3.2
     168.0       1.3
     169.0       2.3
     177.0       1.6
     190.0       4.8
     191.0      11.7
     192.0      23.2
     193.0     100.0
     194.0      15.5
     195.0       1.2

400 MHz in CDCl3

parameter in CDCl3

¹H NMR	399.65 MHz
C₁₄ H₁₁ N	0.039 g : 0.5 ml CDCl₃
9-methylacridine

    Assign.     Shift(ppm)

      A             8.196
      B             8.158
      C             7.723
      D             7.490
      E             3.017

     Hz     ppm     Int.

   3280.40   8.209    202
   3271.73   8.187    224
   3265.87   8.172    171
   3265.14   8.171    194
   3264.53   8.169    202
   3257.08   8.150    176
   3256.35   8.149    206
   3255.74   8.147    211
   3255.13   8.145    176
   3095.09   7.745    116
   3093.75   7.742    118
   3088.62   7.729    139
   3087.16   7.725    155
   3086.43   7.723    140
   3085.08   7.720    115
   3079.83   7.707    125
   3078.49   7.703    125
   3001.34   7.510    125
   3000.12   7.507    129
   2994.75   7.494    116
   2993.53   7.491    134
   2992.55   7.488    140
   2991.33   7.485    127
   2985.96   7.472    104
   2984.74   7.469    105
   1205.81   3.018   1000

¹H NMR	300 MHz
C₁₄ H₁₁ N	0.7 M in CDCl₃
9-methylacridine

    Parameter     ppm  Hz

      D(A)         8.027
      D(B)         7.398
      D(C)         7.660
      D(D)         8.163
       J(A,B)          8.33
       J(A,C)          1.36
       J(A,D)          0.74
       J(B,C)          6.62
       J(B,D)          1.29
       J(C,D)          8.77
     
      D(E)         2.88
     
     SCIACOVELLI,O. & VON PHILIPSBORN,W. ORG.MAGN.RESON. 3, 339
     (1971)

     Hz     ppm     Int.

   2454.46   8.182    101
   2453.62   8.179    127
   2453.23   8.177    128
   2452.44   8.175    107
   2445.70   8.152    114
   2444.86   8.150    143
   2444.47   8.148    143
   2443.68   8.146    120
   2413.43   8.045    106
   2412.69   8.042    122
   2412.10   8.040    124
   2411.31   8.038    103
   2405.12   8.017    115
   2404.38   8.015    133
   2403.79   8.013    137
   2403.05   8.010    115
   2306.38   7.688     88
   2305.05   7.683     88
   2299.79   7.666    107
   2298.41   7.661    117
   2297.67   7.659     98
   2296.30   7.654     81
   2291.03   7.637     94
   2289.71   7.632     91
   2227.28   7.424    104
   2226.05   7.420    103
   2220.69   7.402     93
   2219.11   7.397    141
   2217.73   7.392     99
   2212.37   7.375     81
   2211.09   7.370     79
    864.00   2.880   1000

in CDCl3