2531-84-2

2-甲基菲(2531-84-2)质谱(MS)

产品名称:2-甲基菲

CAS:2531-84-2

分子式:C15H12

分子量: 192.26

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

InChIKey: KANLOADZXMMCQA-UHFFFAOYSA-N

Smiles:C1=C2C(C3C(C=C2)=CC=CC=3)=CC=C1C

Mass

MS-NW-0109          
2-methylphenanthrene
C15H12              (Mass of molecular ion:    192)

   Source Temperature: 130 °C
   Sample Temperature:   0 °C
   Direct, 75 eV

      39.0       1.3
      51.0       1.1
      62.0       1.0
      63.0       2.3
      69.0       1.0
      69.5       1.2
      74.0       1.5
      75.0       1.5
      81.5       1.6
      82.0       1.3
      82.5       3.5
      83.0       1.0
      86.0       1.0
      87.0       1.5
      93.5       1.1
      94.0       1.3
      94.5       4.3
      95.0       2.5
      95.5       1.1
      96.0       3.7
     115.0       1.1
     139.0       2.0
     150.0       1.7
     151.0       1.4
     152.0       1.9
     163.0       3.7
     164.0       2.1
     165.0      10.9
     166.0       1.7
     176.0       2.7
     187.0       2.6
     188.0       2.1
     189.0      19.5
     190.0      10.1
     191.0      36.5
     192.0     100.0
     193.0      16.4
     194.0       1.3

400 MHz in CDCl3

parameter in CCl4

¹H NMR	399.65 MHz
C₁₅ H₁₂	0.9 mg : 0.5 ml CDCl₃
2-methylphenanthrene

    Assign.     Shift(ppm)

      A             8.656
      B             8.583
      C             7.875
      D     *1      7.713
      E             7.68
      F     *1      7.682
      G             7.638
      J             7.571
      K             7.491
      L             2.568

     Hz     ppm     Int.

   3464.60   8.670     90
   3463.99   8.668    116
   3463.38   8.667    114
   3456.30   8.649     92
   3455.81   8.648    126
   3455.08   8.646    123
   3454.59   8.645     88
   3434.57   8.594    145
   3426.15   8.573    152
   3151.86   7.887    113
   3150.39   7.883    101
   3144.04   7.867    131
   3142.58   7.864    119
   3089.23   7.730     93
   3082.40   7.713     31
   3080.44   7.708    282
   3072.14   7.688    306
   3070.19   7.683    162
   3069.21   7.680    176
   3068.73   7.679    165
   3063.23   7.665     96
   3061.40   7.661     79
   3059.94   7.657     85
   3054.44   7.643    128
   3052.98   7.640    162
   3051.64   7.636     78
   3046.14   7.623    129
   3044.68   7.619    114
   3032.71   7.589    146
   3031.37   7.586    153
   3025.63   7.571    100
   3024.78   7.569    151
   3023.56   7.566    132
   3017.82   7.552     84
   3016.60   7.549     74
   2999.02   7.505    104
   2998.66   7.504     99
   2997.92   7.502     68
   2997.19   7.500     93
   2996.83   7.499     93
   2990.72   7.484     99
   2990.23   7.483    100
   2989.50   7.481     65
   2988.77   7.479     94
   1026.49   2.569   1000

¹H NMR	300 MHz
C₁₅ H₁₂	in CCl₄
2-methylphenanthrene

    Parameter     ppm  Hz

      D(A)         7.57
      D(B)         7.36
      D(C)         8.47
       J(A,B)          1.8
       J(A,C)          0.4
       J(B,C)          8.7
     
      D(D)         8.55
      D(E)         7.525
      D(F)         7.46
      D(G)         7.755
       J(D,E)          8.7
       J(D,F)          1.15
       J(D,G)          0.5
       J(E,F)          6.9
       J(E,G)          2.0
       J(F,G)          7.7
     
      D(J)         7.57
     
      D(K)         7.57
     
      D(L)         2.545
     
     BARTLE,K.D. & SMITH,J.A.S. SPECTROCHIM.ACTA 23A, 1689 (1967)
     H(J) & H(K):BROADENED SINGLET.

     Hz     ppm     Int.

   2569.87   8.566     64
   2568.70   8.562     71
   2561.77   8.539     60
   2561.26   8.538     65
   2560.37   8.535     69
   2545.44   8.485    129
   2536.72   8.456    136
   2331.37   7.771     55
   2329.64   7.765     54
   2329.13   7.764     53
   2324.05   7.747     76
   2322.03   7.740     69
   2270.99   7.570    723
   2266.85   7.556     39
   2264.73   7.549     37
   2259.92   7.533     64
   2257.79   7.526     61
   2256.17   7.521     32
   2251.53   7.505     65
   2249.30   7.498     56
   2245.10   7.484     66
   2243.71   7.479     71
   2237.61   7.459     65
   2236.33   7.454     66
   2230.68   7.436     31
   2229.39   7.431     28
   2213.18   7.377     92
   2211.45   7.371     87
   2204.46   7.348     87
   2202.73   7.342     83
    763.48   2.545   1000

in CDCl3