20279-21-4

1,2,3,10B-四氢荧蒽(20279-21-4)核磁图(¹HNMR)

产品名称:1,2,3,10B-四氢荧蒽

CAS:20279-21-4

分子式:C16H14

分子量: 206.28

InChI:InChI=1S/C16H14/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-3,5,7-9,15H,4,6,10H2

InChIKey: VMBZUGDYWLFLEU-UHFFFAOYSA-N

Smiles:C1C2C3=C(C4=C2C=CC=C4)C=CC=C3CC1

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-5995          
1,2,3,10b-tetrahydrofluoranthene
C16H14              (Mass of molecular ion:    206)

   Source Temperature: 270 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      39.0       1.1
      51.0       1.5
      63.0       2.9
      74.0       1.6
      75.0       2.9
      76.0      11.3
      76.5       1.6
      77.0       1.2
      81.5       1.2
      82.5       2.4
      87.0       2.1
      88.0       6.9
      88.5       1.4
      89.0      15.7
      89.5       2.7
      94.0       1.2
      94.5       3.8
      95.0       1.8
      99.0       1.1
     100.0       3.7
     100.5       1.5
     101.0       7.6
     101.5       2.3
     102.0       2.5
     103.0       3.4
     126.0       1.1
     127.0       1.0
     128.0       1.0
     139.0       1.3
     150.0       2.4
     151.0       4.2
     152.0       5.7
     153.0       1.1
     163.0       2.2
     164.0       1.1
     165.0       6.7
     166.0       1.3
     174.0       1.1
     175.0       1.4
     176.0       7.8
     177.0       5.7
     178.0     100.0
     179.0      16.7
     180.0       1.5
     189.0       6.4
     190.0       5.0
     191.0       4.5
     200.0       3.6
     201.0       3.1
     202.0      14.7
     203.0      13.0
     204.0       6.7
     205.0      18.8
     206.0      62.3
     207.0      11.1
     208.0       1.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₆ H₁₄	0.040 g : 0.5 ml CDCl₃
1,2,3,10b-tetrahydrofluoranthene

    Assign.     Shift(ppm)

      A             7.757
      B             7.55
      C             7.53
      D             7.292
      E             7.287
      F             7.255
      G             7.059
      J             3.652
      K     *1      3.043
      L     *1      2.766
      M     *2      2.561
      N     *3      2.12
      P     *3      2.10
      S     *2      1.218
     
     ASSIGNED BY H-H AND C-H COSY

     Hz     ppm     Int.

   3093.99   7.742    678
   3087.40   7.726    595
   3086.55   7.724    770
   3009.77   7.532    685
   3009.16   7.530    666
   3005.49   7.521    400
   3004.52   7.518    708
   3003.42   7.516    848
   3002.44   7.513   1000
   2998.17   7.502    424
   2997.07   7.500    719
   2996.34   7.498    678
   2995.24   7.495    348
   2939.45   7.356    258
   2938.35   7.353    324
   2937.50   7.351    247
   2932.01   7.337    616
   2931.15   7.335    739
   2930.05   7.332    542
   2924.56   7.318    421
   2923.71   7.316    481
   2922.61   7.313    351
   2912.96   7.289    481
   2912.23   7.287    457
   2908.94   7.279    669
   2907.71   7.276    690
   2905.52   7.271    933
   2904.79   7.269    895
   2901.61   7.261    940
   2900.39   7.258    904
   2897.95   7.252    504
   2897.22   7.250    475
   2894.17   7.242    383
   2892.94   7.239    357
   2814.82   7.044    767
   2813.96   7.042    737
   2807.37   7.025    663
   2806.52   7.023    627
   1454.35   3.640    262
   1449.34   3.627    274
   1442.14   3.609    278
   1437.26   3.597    279
   1217.77   3.048    133
   1214.36   3.039    136
   1211.06   3.031    155
   1210.21   3.029    151
   1207.03   3.021    143
   1200.56   3.005    185
   1196.90   2.995    185
   1193.73   2.987    210
   1193.12   2.986    207
   1189.94   2.978    198
   1108.28   2.774    165
   1107.91   2.773    164
   1099.49   2.752    315
   1091.06   2.731    303
   1082.28   2.709    249
   1073.85   2.687    144
   1020.87   2.555    148
   1016.48   2.544    255
   1012.33   2.534    251
   1011.35   2.531    226
   1008.67   2.524    220
   1007.93   2.523    219
   1004.52   2.514    291
   1000.73   2.505    248
    999.76   2.502    270
    995.61   2.492    173
    857.54   2.146    253
    856.81   2.144    223
    853.76   2.137    362
    852.54   2.134    259
    851.44   2.131    271
    849.73   2.127    464
    847.90   2.122    491
    845.70   2.117    518
    844.60   2.114    307
    843.51   2.111    405
    841.92   2.107    363
    840.09   2.103    364
    838.75   2.099    244
    836.67   2.094    330
    834.35   2.088    186
    832.64   2.084    188
    829.59   2.076    156
    825.07   2.065    162
    493.04   1.234    171
    487.92   1.221    115
    487.18   1.220    105
    482.06   1.207    272
    480.96   1.204    333
    475.83   1.191    248
    474.85   1.189    199
    469.97   1.176    405
    468.75   1.173    196
    464.23   1.162    318
    457.89   1.146    189
    452.03   1.132    142

in CDCl3