622-21-9

二肉桂丙酮(622-21-9)Raman光谱

产品名称:二肉桂丙酮

CAS:622-21-9

分子式:C21H18O

分子量: 286.37

InChI:InChI=1S/C21H18O/c22-21(17-9-7-15-19-11-3-1-4-12-19)18-10-8-16-20-13-5-2-6-14-20/h1-18H

InChIKey: RLJALOQFYHCJKG-UHFFFAOYSA-N

Smiles:C(C1=CC=CC=C1)=CC=CC(=O)C=CC=CC1=CC=CC=C1

Mass

MS-NW-8293          
1,9-diphenyl-1,3,6,8-nonatetraen-5-one
C21H18O             (Mass of molecular ion:    286)

   Source Temperature: 200 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      27.0       1.5
      39.0       2.9
      50.0       1.8
      51.0       7.8
      52.0       1.6
      55.0       2.1
      63.0       3.2
      64.0       1.0
      65.0       2.6
      74.0       1.1
      75.0       1.9
      76.0       2.7
      77.0      14.1
      78.0       4.7
      79.0       1.1
      89.0       2.7
      91.0      27.2
      92.0       2.5
     101.0       2.0
     102.0       7.2
     103.0       6.8
     104.0       6.0
     105.0       7.7
     114.0       1.0
     115.0      23.3
     116.0       9.1
     117.0      46.8
     118.0       5.7
     126.0       2.8
     127.0      20.5
     128.0      53.9
     129.0      28.1
     130.0       6.9
     131.0       5.7
     132.0       1.3
     139.0       1.3
     141.0      10.7
     142.0       8.5
     143.0       3.1
     144.0      25.3
     145.0       3.4
     151.0       1.8
     152.0      13.8
     153.0      11.7
     154.0      21.7
     155.0       8.0
     156.0       1.9
     157.0      13.6
     158.0       5.2
     165.0      21.7
     166.0      13.0
     167.0      52.4
     168.0       8.9
     169.0       3.0
     170.0       2.4
     171.0      10.2
     172.0       2.2
     177.0       9.5
     178.0       6.6
     179.0       8.1
     180.0       7.1
     181.0       8.9
     182.0       6.3
     183.0       3.0
     184.0       1.0
     189.0       1.2
     191.0       4.1
     192.0       1.6
     193.0       2.3
     194.0       4.8
     195.0      31.4
     196.0       5.0
     202.0       1.7
     203.0       1.4
     204.0       1.7
     205.0       3.2
     206.0       5.4
     207.0       3.2
     208.0       2.4
     209.0       6.4
     210.0       1.0
     215.0       2.9
     216.0       1.5
     217.0       2.6
     228.0       2.3
     229.0       2.2
     230.0       1.5
     231.0       1.3
     239.0       1.3
     241.0       2.3
     242.0       1.7
     243.0       4.0
     244.0       1.2
     252.0       1.8
     253.0       1.7
     255.0       1.1
     257.0       2.6
     258.0      19.9
     259.0       4.7
     260.0       1.8
     265.0       1.1
     267.0       2.1
     268.0       2.5
     269.0       1.4
     271.0       1.3
     285.0       5.4
     286.0     100.0
     287.0      24.1
     288.0       3.3
     312.0       1.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₁ H₁₈ O	0.032 g : 0.5 ml CDCl₃
1,9-diphenyl-1,3,6,8-nonatetraen-5-one

    Assign.     Shift(ppm)

      A             7.47
      B             7.47
      C             7.355
      D             7.312
      E             6.96
      F             6.94
      G             6.559
     
     ASSIGNED BY C-H AND H-H COSY.
     J(B,F)=6.4 HZ
     J(B,G)=15.3 HZ
     J(E,F)=14.0 HZ

     Hz     ppm     Int.

   2998.41   7.503    178
   2996.58   7.499    156
   2991.46   7.486    378
   2989.87   7.482    598
   2988.16   7.477    323
   2983.15   7.465    712
   2981.81   7.462    560
   2975.22   7.445    179
   2973.02   7.440    217
   2949.10   7.380    199
   2947.51   7.376    274
   2945.68   7.371    122
   2940.55   7.358    676
   2939.09   7.355    275
   2934.57   7.343    234
   2933.23   7.340    456
   2930.91   7.334    106
   2928.34   7.328    222
   2926.88   7.324    393
   2925.42   7.320    222
   2922.49   7.313    131
   2919.92   7.307    343
   2916.75   7.299     76
   2913.94   7.292     71
   2912.60   7.288    107
   2911.25   7.285     61
   2792.97   6.989     70
   2779.17   6.955   1000
   2777.71   6.951    411
   2771.00   6.934    382
   2770.63   6.933    382
   2755.13   6.894     67
   2627.44   6.575    637
   2612.18   6.537    429

in CDCl3