832-69-9

1-甲基菲(832-69-9)红外图谱(IR2)

产品名称:1-甲基菲

CAS:832-69-9

分子式:C15H12

分子量: 192.26

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

InChIKey: DOWJXOHBNXRUOD-UHFFFAOYSA-N

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

Mass

MS-NW-0117          
1-methylphenanthrene
C15H12              (Mass of molecular ion:    192)

   Source Temperature: 180 °C
   Sample Temperature:   0 °C
   Direct, 75 eV

      39.0       1.4
      50.0       1.0
      51.0       1.4
      62.0       1.2
      63.0       2.8
      69.5       1.0
      74.0       1.8
      75.0       1.7
      81.5       1.3
      82.0       1.0
      82.5       2.6
      86.0       1.3
      87.0       1.8
      94.5       2.4
      95.0       1.4
      96.0       1.8
      98.0       1.1
     115.0       1.4
     139.0       2.5
     150.0       1.9
     151.0       1.7
     152.0       2.3
     163.0       4.5
     164.0       2.7
     165.0      15.8
     166.0       2.3
     176.0       3.2
     187.0       2.7
     188.0       2.1
     189.0      19.1
     190.0       9.7
     191.0      37.8
     192.0     100.0
     193.0      17.0
     194.0       1.3

400 MHz in CDCl3

parameter in CCl4

¹H NMR	399.65 MHz
C₁₅ H₁₂	1.1 mg : 0.5 ml CDCl₃
1-methylphenanthrene

    Assign.     Shift(ppm)

      A             8.717
      B             8.598
      C             7.969
      D             7.910
      E             7.798
      F             7.657
      G             7.603
      J             7.557
      K             7.460
      L             2.769
     
     J(C,E)=9.2HZ.

     Hz     ppm     Int.

   3488.53   8.729     84
   3487.92   8.728    108
   3487.43   8.727    105
   3487.18   8.726    105
   3486.69   8.725     83
   3480.35   8.709     86
   3479.74   8.707    114
   3479.00   8.706    113
   3442.38   8.614     46
   3440.67   8.610    101
   3432.74   8.590    109
   3432.37   8.589    103
   3190.19   7.983    147
   3189.58   7.981    139
   3180.91   7.960    192
   3180.30   7.958    182
   3165.53   7.921    104
   3164.67   7.919     87
   3163.94   7.917     95
   3157.71   7.902    128
   3156.13   7.898    116
   3120.48   7.809    187
   3111.57   7.786    149
   3069.34   7.681     66
   3067.75   7.677     64
   3062.26   7.663    121
   3060.79   7.659    145
   3059.57   7.656     67
   3054.08   7.642    122
   3052.49   7.638    107
   3045.53   7.621    145
   3044.19   7.618    156
   3038.57   7.604     94
   3037.72   7.601    141
   3036.50   7.598    132
   3030.76   7.584     81
   3029.42   7.581     82
   3028.20   7.578    104
   3021.12   7.560    150
   3019.90   7.557    111
   3012.70   7.539    142
   2986.21   7.473     44
   2985.23   7.470    108
   2984.13   7.467    140
   2983.28   7.465    110
   2982.42   7.463     41
   2979.13   7.455     33
   2978.15   7.452     82
   2977.05   7.450    102
   2976.07   7.447     79
   1110.11   2.778     53
   1107.42   2.771   1000

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

    Parameter     ppm  Hz

      D(A)         7.355
      D(B)         7.45
      D(C)         8.53
      D(D)         7.705
      D(E)         7.88
       J(A,B)          7.1
       J(A,C)          1.0
       J(A,D)          0.0
       J(A,E)          0.0
       J(B,C)          8.2
       J(B,D)          0.0
       J(B,E)          0.0
       J(C,D)          0.0
       J(C,E)          0.6
       J(D,E)          9.1
     
      D(F)         8.635
      D(G)         7.57
      D(J)         7.505
      D(K)         7.815
       J(F,G)          8.8
       J(F,J)          1.1
       J(F,K)          0.5
       J(G,J)          6.9
       J(G,K)          2.1
       J(J,K)          7.7
     
      D(L)         2.735
     
     BARTLE,K.D. & SMITH,J.A.S. SPECTROCHIM.ACTA 23A, 1689 (1967)

     Hz     ppm     Int.

   2595.37   8.651     66
   2594.27   8.648     72
   2587.22   8.624     59
   2586.67   8.622     65
   2585.85   8.619     71
   2563.38   8.545     71
   2562.88   8.543     70
   2555.28   8.518     74
   2554.79   8.516     74
   2369.18   7.897     91
   2368.74   7.896     90
   2360.10   7.867    128
   2359.66   7.866    128
   2349.44   7.831     56
   2347.58   7.825     53
   2346.98   7.823     52
   2342.11   7.807     72
   2339.98   7.800     69
   2315.64   7.719    195
   2306.62   7.689    139
   2280.42   7.601     31
   2278.23   7.594     33
   2273.48   7.578     62
   2271.29   7.571     60
   2269.59   7.565     31
   2265.00   7.550     65
   2262.70   7.542     55
   2258.60   7.529     66
   2257.29   7.524     71
   2251.11   7.504     66
   2249.85   7.499     67
   2244.16   7.481     38
   2242.96   7.477     95
   2235.91   7.453    112
   2234.92   7.450     72
   2227.87   7.426    104
   2210.15   7.367    114
   2209.11   7.364    117
   2203.04   7.343     73
   2202.00   7.340     68
    820.48   2.735   1000

in CDCl3