9,10-Bis(phenylethynyl)anthracene(10075-85-1) Raman

Product Name9,10-Bis(phenylethynyl)anthracene

Molecular FormulaC30H18

Molecular Weight378.46

InChIInChI=1S/C30H18/c1-3-11-23(12-4-1)19-21-29-25-15-7-9-17-27(25)30(28-18-10-8-16-26(28)29)22-20-24-13-5-2-6-14-24/h1-18H

InChIKey ZHBOFZNNPZNWGB-UHFFFAOYSA-N

SmilesC1=C2C(C(C#CC3=CC=CC=C3)=C3C(=C2C#CC2=CC=CC=C2)C=CC=C3)=CC=C1

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Mass

MS-NW-8025          
9,10-bis(phenylethynyl)anthracene
C30H18              (Mass of molecular ion:    378)

   Source Temperature: 220 °C
   Sample Temperature: 190 °C
   Direct, 75 eV

     149.0       1.5
     150.0       1.5
     161.0       2.0
     161.5       1.0
     162.0       2.7
     167.5       1.5
     168.5       1.4
     173.0       1.3
     174.0       3.2
     174.5       1.2
     175.0       3.4
     175.5       1.1
     180.5       1.8
     186.0       2.2
     186.5       1.1
     187.0       8.2
     187.5       4.0
     188.0       4.4
     188.5       1.4
     189.0      20.5
     189.5       6.8
     190.0       1.1
     298.0       1.5
     300.0       4.8
     301.0       1.3
     348.0       1.5
     350.0       2.0
     372.0       2.3
     373.0       1.3
     374.0       9.9
     375.0       5.9
     376.0      11.6
     377.0       5.0
     378.0     100.0
     379.0      33.0
     380.0       5.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₃₀ H₁₈	saturated in CDCl₃
9,10-bis(phenylethynyl)anthracene

    Assign.     Shift(ppm)

      A             8.700
      B             7.784
      C             7.645
      D             7.462
      E             7.43

     Hz     ppm     Int.

   3485.72   8.722     83
   3484.38   8.719    120
   3481.69   8.712    909
   3478.52   8.704    705
   3475.10   8.696    678
   3471.80   8.688   1000
   3469.12   8.681    134
   3467.77   8.678     94
   3116.21   7.798    655
   3114.62   7.794    630
   3112.43   7.788    229
   3109.74   7.782    337
   3108.76   7.779    482
   3108.03   7.777    803
   3106.69   7.774    701
   3104.25   7.768     95
   3064.45   7.668     96
   3063.11   7.665    129
   3060.55   7.659    925
   3057.25   7.650    647
   3053.83   7.642    662
   3050.54   7.634    894
   3047.97   7.627    124
   3046.63   7.624     86
   2992.68   7.489    212
   2991.09   7.485    163
   2990.23   7.483    250
   2988.65   7.479    136
   2986.33   7.473    153
   2983.89   7.467    748
   2982.42   7.463    341
   2981.32   7.460    236
   2978.15   7.452    360
   2976.56   7.448    736
   2975.95   7.447    681
   2974.00   7.442    654
   2972.29   7.438    330
   2970.09   7.432    164
   2967.53   7.426    291
   2966.80   7.424    284
   2963.01   7.415     58
   2961.18   7.410     66
   2959.72   7.406     96
   2958.25   7.403     43

in CDCl3