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返回ChemicalBook首頁(yè)>CAS數(shù)據(jù)庫(kù)列表>86436-20-6更多圖譜> 雙(2-氯苯基)-聯(lián)苯基-已二炔-二醇(86436-20-6)紅外圖譜(IR2)

86436-20-6

雙(2-氯苯基)-聯(lián)苯基-已二炔-二醇(86436-20-6)紅外圖譜(IR2)

分子式:C30H20Cl2O2

分子量: 483.38

InChI:InChI=1S/C30H20Cl2O2/c31-27-19-9-7-17-25(27)29(33,23-13-3-1-4-14-23)21-11-12-22-30(34,24-15-5-2-6-16-24)26-18-8-10-20-28(26)32/h1-10,13-20,33-34H/t29-,30-/m1/s1

InChIKey: CJETXAUUVYDHTN-LOYHVIPDSA-N

Smiles:[C@@](C1=CC=CC=C1Cl)(C1=CC=CC=C1)(O)C#CC#C[C@](C1=CC=CC=C1Cl)(C1=CC=CC=C1)O

  • 圖譜
    Mass 

    MS-IW-4044          
(-)-1,6-bis(o-chlorophenyl)-1,6-diphenyl-2,4-hexadiyne-1,6-diol
C30H20Cl2O2         (Mass of molecular ion:    482)


       Source Temperature: 180 °C
   Sample Temperature: 170 °C
   Direct, 75 eV


          17.0       1.2
      18.0       6.8
      28.0       1.0
      39.0       1.2
      49.0       1.4
      50.0       7.2
      51.0      12.0
      52.0       1.0
      63.0       2.1
      74.0       2.5
      75.0      11.1
      76.0       7.4
      77.0      49.5
      78.0       4.4
      86.0       1.0
      87.0       1.8
      88.0       3.6
      93.5       1.0
      94.0       1.6
      99.0       1.5
     100.0       3.3
     100.5       1.7
     101.0       9.4
     101.5       2.1
     105.0     100.0
     105.5       1.1
     106.0       8.9
     106.5       2.2
     107.0       1.2
     111.0      17.9
     112.0       2.0
     113.0       6.1
     125.0       2.0
     126.0       4.7
     127.0       2.3
     137.0       1.7
     138.0       1.1
     139.0      54.9
     140.0       4.3
     141.0      18.1
     142.0       1.4
     150.0       1.5
     151.0       2.6
     152.0       4.6
     153.0       2.2
     154.0       4.8
     155.0       3.4
     160.0       1.9
     162.0       1.0
     163.0       1.3
     165.0       1.1
     176.0       1.2
     180.0       1.0
     181.0       4.7
     187.0       1.4
     188.0       6.2
     189.0       3.1
     190.0       2.1
     191.0       1.0
     199.0       1.2
     200.0       4.4
     201.0       6.5
     202.0      36.5
     203.0      23.7
     204.0       3.6
     211.0       2.1
     212.0       1.7
     213.0       6.3
     214.0       1.7
     215.0       1.4
     216.0      42.0
     217.0       6.5
     218.0      14.1
     219.0       2.1
     229.0       1.0
     230.0       4.2
     231.0      43.9
     232.0       8.2
     238.0       1.6
     249.0       2.1
     265.0       5.4
     266.0       1.4
     267.0       1.9
     289.0       1.2
     307.0       1.0
     343.0       2.9
     345.0       1.0

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C30 H20 Cl2 O2 0.038 g : 0.5 ml CDCl3
    (-)-1,6-bis(o-chlorophenyl)-1,6-diphenyl-2,4-hexadiyne-1,6-diol
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             7.885
      B             7.473
      C          7.48 to 7.46
      D             7.272
      E             3.26
  

         Hz     ppm     Int.


       3156.13   7.898    214
   3154.66   7.894    181
   3151.25   7.886     65
   3149.90   7.882     67
   3148.80   7.879    203
   3148.32   7.878    225
   3146.48   7.874    202
   2993.04   7.490     60
   2991.70   7.486    319
   2990.48   7.483    136
   2989.50   7.481    216
   2987.55   7.476    140
   2986.45   7.473    147
   2985.47   7.471    201
   2983.64   7.466    446
   2982.06   7.462    411
   2979.98   7.457     44
   2978.88   7.454     50
   2937.62   7.351     78
   2935.91   7.347     59
   2933.59   7.341    210
   2931.76   7.336    216
   2930.79   7.334    201
   2929.20   7.330    449
   2926.76   7.324    295
   2925.05   7.320    530
   2922.97   7.314    712
   2922.49   7.313    709
   2921.26   7.310    756
   2918.21   7.302    391
   2916.38   7.298    166
   2912.11   7.287    273
   2910.28   7.283    300
   2907.84   7.276     78
   2905.40   7.270    141
   2903.93   7.267    119
   2902.95   7.264    198
   2897.22   7.250     83
   2895.51   7.246     73
   1302.73   3.260   1000

KBr disc

  • 圖譜

nujol mull

  • 圖譜

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