218-01-9

屈(218-01-9)核磁圖(¹HNMR)

產(chǎn)品名稱:屈

CAS:218-01-9

分子式:C18H12

分子量: 228.29

InChI:InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H

InChIKey: WDECIBYCCFPHNR-UHFFFAOYSA-N

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

Mass

MS-NW-0128          
chrysene
C18H12              (Mass of molecular ion:    228)

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

      87.0       1.1
      88.0       1.4
     100.0       3.3
     101.0       5.0
     112.0       3.0
     113.0       8.5
     114.0       9.4
     115.0       1.8
     189.0       1.0
     200.0       2.6
     201.0       1.5
     202.0       2.9
     217.0       2.5
     224.0       4.7
     225.0       3.7
     226.0      22.6
     227.0       9.1
     228.0     100.0
     229.0      19.9
     230.0       1.9
     234.0       5.2
     235.0       1.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₈ H₁₂	saturated in CDCl₃
chrysene

    Assign.     Shift(ppm)

      A             8.794
      B             8.734
      C             8.02
      D             8.01
      E             7.715
      F             7.645
     
     J(B,C)=9.0HZ.

     Hz     ppm     Int.

   3519.41   8.807    502
   3519.04   8.806    508
   3516.11   8.798     84
   3515.63   8.797     76
   3514.77   8.795     77
   3514.16   8.794     69
   3513.79   8.793     76
   3513.43   8.792     86
   3510.99   8.786    533
   3510.62   8.785    537
   3507.32   8.776     77
   3506.84   8.775     70
   3495.12   8.746    813
   3491.09   8.736     67
   3490.23   8.734     68
   3489.01   8.731     79
   3488.65   8.730     66
   3486.08   8.723    877
   3482.79   8.715     76
   3214.60   8.044     66
   3209.84   8.032    823
   3206.91   8.025    118
   3206.05   8.023    114
   3203.37   8.016    567
   3201.29   8.011   1000
   3197.75   8.002    145
   3195.43   7.996    604
   3194.09   7.993    575
   3191.41   7.986     80
   3190.43   7.984     74
   3092.53   7.739    305
   3091.06   7.735    348
   3089.48   7.731     73
   3088.62   7.729     66
   3087.89   7.727     73
   3085.57   7.721    521
   3084.23   7.718    717
   3082.64   7.714    353
   3080.69   7.709     78
   3080.32   7.708     78
   3079.96   7.707     75
   3078.98   7.705     79
   3077.27   7.700    525
   3075.81   7.697    477
   3062.50   7.663    587
   3061.28   7.660    616
   3059.45   7.656     72
   3058.96   7.655     78
   3058.47   7.653     72
   3057.74   7.652     79
   3057.37   7.651     77
   3055.54   7.646    451
   3054.44   7.643    788
   3053.34   7.641    574
   3051.27   7.635     69
   3047.61   7.626    372
   3046.39   7.623    339

in CDCl3