215-58-7

1,2,3,4-二苯甲基酸(215-58-7)紅外圖譜(IR1)

產品名稱:1,2,3,4-二苯甲基酸

CAS:215-58-7

分子式:C22H14

分子量: 278.35

InChI:InChI=1S/C22H14/c1-2-8-16-14-22-20-12-6-4-10-18(20)17-9-3-5-11-19(17)21(22)13-15(16)7-1/h1-14H

InChIKey: RAASUWZPTOJQAY-UHFFFAOYSA-N

Smiles:C1=C2C(C3C(C4C2=CC=CC=4)=CC=CC=3)=CC2=CC=CC=C12

Mass

MS-IW-3108          
benzo(b)triphenylene
C22H14              (Mass of molecular ion:    278)

   Source Temperature: 170 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

     112.0       1.7
     113.0       1.6
     124.0       2.7
     124.5       1.4
     125.0       4.8
     125.5       1.1
     126.0       2.0
     136.0       1.6
     136.5       1.2
     137.0       6.9
     137.5       2.9
     138.0      13.6
     138.5       5.3
     139.0      15.7
     139.5       3.7
     248.0       1.3
     250.0       2.1
     252.0       1.1
     274.0       6.3
     275.0       3.1
     276.0      21.4
     277.0       7.8
     278.0     100.0
     279.0      23.9
     280.0       2.9

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₂ H₁₄	13.3 mg : 0.5 ml CDCl₃
benzo(b)triphenylene

    Assign.     Shift(ppm)

      A             9.015
      B     *1      8.719
      C     *1      8.531
      D             8.040
      E     *2      7.62
      F     *2      7.61
      G             7.537

     Hz     ppm     Int.

   3602.91   9.016    968
   3493.41   8.742     37
   3489.50   8.732    308
   3487.06   8.726    235
   3483.76   8.718    185
   3481.57   8.712    220
   3479.98   8.708    332
   3476.81   8.700     51
   3417.11   8.551     44
   3414.18   8.543    332
   3412.72   8.540    219
   3410.52   8.534    184
   3407.35   8.526    252
   3404.66   8.520    349
   3401.00   8.510     45
   3221.07   8.060     48
   3218.26   8.053    314
   3214.97   8.045    291
   3212.04   8.038    301
   3208.74   8.029    358
   3205.93   8.022     79
   3204.71   8.019     54
   3057.50   7.651     78
   3055.54   7.646    155
   3054.08   7.642     37
   3053.71   7.641     37
   3053.10   7.640     39
   3050.42   7.633    455
   3048.46   7.628    545
   3047.85   7.627    602
   3044.43   7.618   1000
   3040.89   7.609    630
   3038.33   7.603    471
   3035.16   7.595     52
   3033.20   7.590    155
   3031.37   7.586     92
   3020.02   7.557     60
   3017.09   7.550    579
   3013.92   7.542    403
   3010.74   7.534    417
   3007.45   7.526    555
   3004.64   7.519     68

¹H NMR	89.56 MHz
C₂₂ H₁₄	0.013 g : 0.5 ml CDCl₃
benzo(b)triphenylene

    Assign.     Shift(ppm)

      A             9.006
      B     *1      8.71
      C     *1      8.52
      D             8.030
      E     *2      7.62
      F     *2      7.59
      G             7.53

     Hz     ppm     Int.

    806.63   9.007   1000
    804.31   8.981     71
    785.13   8.767    261
    781.69   8.729    246
    779.81   8.708    161
    778.06   8.688    194
    776.88   8.675     70
    775.56   8.660    321
    772.50   8.626     77
    768.25   8.579    283
    765.44   8.547    164
    764.25   8.534    146
    762.13   8.510    292
    758.75   8.472    329
    724.63   8.092    231
    721.25   8.054    223
    719.69   8.036     70
    718.19   8.020    232
    714.88   7.983    311
    711.94   7.950     73
    690.19   7.707     99
    689.25   7.696     84
    685.94   7.660    893
    683.13   7.628    407
    682.19   7.618    540
    680.25   7.596    461
    678.56   7.577    730
    676.38   7.553    906
    675.56   7.544    409
    673.19   7.517    128
    672.19   7.506    455
    668.94   7.470    454
    667.56   7.454     69

in CDCl3