1,4-DIPHENYLBUTADIYNE(886-65-7) IR2

Product Name1,4-DIPHENYLBUTADIYNE

CAS 886-65-7

Molecular FormulaC16H14

Molecular Weight206.28

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

InChIKey JFLKFZNIIQFQBS-UHFFFAOYSA-N

SmilesC(C1=CC=CC=C1)=CC=CC1=CC=CC=C1

Request For Quotation

Mass

MS-NW-2907          
trans,trans-1,4-diphenyl-1,3-butadiene
C16H14              (Mass of molecular ion:    206)

   Source Temperature: 270 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      18.0       1.4
      27.0       1.0
      39.0       2.4
      50.0       1.3
      51.0       3.8
      63.0       2.6
      65.0       3.2
      75.0       1.1
      76.0       2.4
      77.0       4.4
      78.0       2.2
      88.0       1.0
      89.0       5.3
      91.0      43.2
      92.0       3.5
     101.0       3.2
     102.0       3.5
     103.0       3.9
     104.0       1.3
     115.0       9.3
     116.0       1.0
     127.0       5.3
     128.0      20.0
     129.0      14.3
     130.0       1.4
     141.0       1.1
     152.0       1.3
     165.0       5.8
     166.0       1.0
     178.0       5.2
     179.0       4.0
     189.0       3.3
     190.0       4.3
     191.0      18.4
     192.0       3.0
     202.0       5.4
     203.0       7.1
     204.0       7.0
     205.0      29.7
     206.0     100.0
     207.0      17.1
     208.0       1.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₆ H₁₄	0.035 g : 0.5 ml CDCl₃
trans,trans-1,4-diphenyl-1,3-butadiene

    Assign.     Shift(ppm)

      A             7.424
      B             7.314
      C             7.217
      D             6.938
      E             6.655

     Hz     ppm     Int.

   2972.41   7.438    539
   2970.95   7.434    696
   2969.24   7.430    235
   2963.75   7.416    872
   2963.01   7.415    830
   2931.03   7.334    546
   2929.20   7.330    210
   2923.71   7.316   1000
   2922.49   7.313    492
   2917.36   7.300    272
   2915.89   7.297    556
   2892.94   7.239    239
   2891.60   7.236    411
   2890.38   7.233    240
   2886.23   7.222    188
   2884.28   7.218    509
   2882.32   7.213    156
   2878.30   7.203    131
   2876.95   7.199    222
   2875.85   7.196    463
   2788.57   6.978     70
   2780.88   6.959    465
   2778.08   6.952    290
   2769.04   6.929    392
   2766.11   6.922    619
   2758.54   6.903     96
   2673.10   6.689     74
   2666.14   6.672    398
   2663.21   6.664    269
   2654.17   6.642    225
   2651.37   6.635    298
   2644.17   6.617     49

in CDCl3