57-97-6

9,10-二甲基-1,2-苯并蒽(57-97-6)質(zhì)譜(MS)

產(chǎn)品名稱:9,10-二甲基-1,2-苯并蒽

CAS:57-97-6

分子式:C20H16

分子量: 256.34

InChI:InChI=1S/C20H16/c1-13-16-8-5-6-9-17(16)14(2)20-18(13)12-11-15-7-3-4-10-19(15)20/h3-12H,1-2H3

InChIKey: ARSRBNBHOADGJU-UHFFFAOYSA-N

Smiles:C12=CC=CC=C1C=CC1C2=C(C)C2C(=CC=CC=2)C=1C

Mass

MS-NW-6912          
7,12-dimethylbenz(a)anthracene
C20H16              (Mass of molecular ion:    256)

   Source Temperature: 230 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      27.0       1.3
      39.0       1.4
      51.0       1.4
      63.0       1.5
      75.0       1.3
      77.0       1.1
      87.0       1.1
      88.0       1.0
     100.0       1.6
     101.0       2.4
     106.5       2.1
     107.5       1.8
     112.0       2.3
     112.5       1.0
     113.0       7.0
     113.5       1.8
     114.0       3.1
     118.5       2.7
     119.0       3.3
     119.5      11.8
     120.0      11.4
     120.5       5.9
     121.0       1.1
     125.0       3.6
     125.5       1.1
     126.0       6.1
     126.5       1.9
     127.0       4.8
     127.5       1.2
     128.0       6.5
     128.5       1.3
     150.0       1.0
     152.0       1.0
     176.0       1.0
     187.0       1.2
     189.0       1.3
     200.0       1.4
     202.0       1.7
     213.0       2.1
     215.0       3.3
     224.0       1.7
     225.0       1.3
     226.0       5.9
     227.0       2.7
     228.0       2.8
     229.0       2.5
     237.0       3.2
     238.0       2.2
     239.0      29.2
     240.0      23.2
     241.0      42.7
     242.0       9.1
     243.0       1.4
     250.0       3.7
     251.0       1.8
     252.0       7.5
     253.0       5.5
     254.0       4.5
     255.0      11.0
     256.0     100.0
     257.0      22.1
     258.0       2.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₀ H₁₆	11.1 mg : 0.5 ml CDCl₃
7,12-dimethylbenz(a)anthracene

    Assign.     Shift(ppm)

      A             8.456
      B     *1      8.36
      C     *1      8.34
      D             8.015
      E             7.805
      F     *2      7.62
      G     *2      7.61
      J             7.55
      K     *3      7.56
      L     *3      7.54
      M             3.334
      N             3.047
     
     B,C,F,G,K AND L WERE CONFIRMED BY LAOCN PROGRAM.

     Hz     ppm     Int.

   3385.01   8.470     86
   3383.06   8.466     53
   3381.35   8.461     45
   3380.74   8.460     46
   3378.54   8.454     75
   3377.69   8.452     60
   3375.61   8.447     96
   3345.70   8.372     96
   3345.09   8.371    108
   3343.26   8.366    143
   3338.50   8.354     71
   3336.30   8.349    183
   3335.69   8.347    226
   3335.08   8.346    187
   3332.89   8.340     85
   3328.25   8.328    155
   3326.42   8.324    132
   3325.68   8.322    114
   3208.25   8.028    282
   3198.97   8.005    311
   3124.51   7.819    107
   3121.95   7.812     77
   3120.97   7.810     81
   3119.51   7.806     67
   3117.19   7.800     80
   3115.36   7.796    132
   3057.62   7.651     43
   3055.91   7.647     62
   3051.03   7.635    149
   3049.32   7.630    129
   3047.61   7.626     62
   3046.14   7.623    163
   3043.58   7.616    326
   3041.02   7.610    152
   3039.55   7.606     70
   3037.84   7.602    135
   3036.13   7.597    151
   3031.25   7.585     67
   3029.54   7.581     58
   3026.98   7.575     72
   3023.93   7.567    211
   3021.97   7.562    223
   3020.14   7.557    273
   3016.48   7.548    389
   3014.65   7.544    213
   3012.82   7.539    316
   3010.74   7.534    169
   3005.86   7.522     48
   1332.64   3.335    838
   1217.90   3.048   1000

in CDCl3