779-02-2

9-甲基蒽(779-02-2)質譜(MS)

產品名稱:9-甲基蒽

CAS:779-02-2

分子式:C15H12

分子量: 192.26

InChI:InChI=1S/C15H12/c1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13/h2-10H,1H3

InChIKey: CPGPAVAKSZHMBP-UHFFFAOYSA-N

Smiles:C1=C2C(C=C3C(=C2C)C=CC=C3)=CC=C1

Mass

MS-NW-2462          
9-methylanthracene
C15H12              (Mass of molecular ion:    192)

   Source Temperature: 290 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      63.0       1.6
      69.5       1.3
      75.0       1.0
      81.5       2.1
      82.0       1.9
      82.5       5.3
      83.0       1.6
      88.0       1.3
      89.0       1.1
      93.5       1.5
      94.0       2.0
      94.5       6.5
      95.0       3.7
      95.5       3.0
      96.0       6.3
      96.5       1.1
     139.0       1.2
     151.0       1.1
     152.0       1.7
     163.0       2.1
     164.0       1.4
     165.0       6.8
     166.0       1.0
     176.0       2.2
     178.0       6.2
     179.0       1.1
     187.0       1.8
     188.0       1.7
     189.0      17.7
     190.0       7.9
     191.0      52.5
     192.0     100.0
     193.0      15.5
     194.0       1.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₅ H₁₂	18.3 mg : 0.5 ml CDCl₃
9-methylanthracene

    Assign.     Shift(ppm)

      A             8.314
      B             8.268
      C             7.981
      D             7.49
      E             7.45
      F             3.076

     Hz     ppm     Int.

   3322.88   8.315    186
   3310.06   8.283    128
   3309.20   8.281    204
   3308.23   8.278    216
   3307.01   8.275    115
   3301.51   8.262    126
   3300.42   8.259    242
   3299.32   8.256    229
   3298.22   8.253    117
   3194.70   7.994    194
   3193.97   7.992    201
   3193.24   7.991    163
   3186.52   7.974    234
   3185.91   7.972    199
   3184.94   7.970    201
   3002.81   7.514    100
   3001.22   7.510    115
   2996.22   7.498    205
   2994.75   7.494    209
   2992.55   7.488    104
   2987.67   7.476    235
   2985.96   7.472    200
   2983.76   7.466    207
   2982.30   7.463    235
   2980.59   7.459     42
   2977.29   7.450    120
   2975.59   7.446    226
   2974.24   7.443    200
   2970.83   7.434     32
   2968.99   7.429    107
   2967.77   7.426     94
   1229.74   3.078   1000
   1229.00   3.076    904

in CDCl3