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返回ChemicalBook首页>CAS数据库列表>86436-19-3更多图谱> (+)-1,6-双-(2-氯苯基)-1,6-二苯基-2,4-己二炔-1,6-二醇(86436-19-3)红外图谱(IR2)

86436-19-3

(+)-1,6-双-(2-氯苯基)-1,6-二苯基-2,4-己二炔-1,6-二醇(86436-19-3)红外图谱(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-/m0/s1

InChIKey: CJETXAUUVYDHTN-KYJUHHDHSA-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

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    Mass

    MS-IW-4043          
    (+)-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
    

          18.0       5.1
          39.0       1.0
          49.0       1.7
          50.0       8.1
          51.0      11.3
          63.0       1.9
          74.0       2.3
          75.0      10.2
          76.0       7.3
          77.0      46.2
          78.0       4.1
          87.0       1.6
          88.0       3.3
          93.5       1.0
          94.0       1.6
          99.0       1.3
         100.0       3.1
         100.5       1.6
         101.0       9.0
         101.5       2.0
         105.0     100.0
         105.5       1.0
         106.0       8.7
         106.5       2.2
         107.0       1.3
         111.0      16.9
         112.0       1.9
         113.0       5.6
         125.0       1.7
         126.0       4.3
         127.0       2.1
         137.0       1.4
         139.0      51.2
         140.0       4.1
         141.0      16.6
         142.0       1.3
         150.0       1.3
         151.0       2.4
         152.0       4.3
         153.0       1.9
         154.0       4.4
         155.0       3.1
         160.0       1.6
         163.0       1.1
         176.0       1.0
         180.0       1.1
         181.0       4.8
         187.0       1.2
         188.0       5.5
         189.0       2.8
         190.0       2.0
         199.0       1.0
         200.0       3.9
         201.0       5.6
         202.0      32.2
         203.0      21.0
         204.0       3.3
         211.0       1.8
         212.0       1.5
         213.0       5.5
         214.0       1.6
         215.0       1.4
         216.0      42.9
         217.0       6.4
         218.0      14.2
         219.0       2.1
         230.0       3.7
         231.0      40.1
         232.0       7.4
         238.0       1.4
         249.0       1.9
         265.0       4.6
         266.0       1.3
         267.0       1.6
         343.0       1.7
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C30 H20 Cl2 O2 0.039 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 7.472 C 7.48 to 7.46 D 7.29 E 3.26

         Hz     ppm     Int.
    

       3156.37   7.898    181
       3155.27   7.896    142
       3154.91   7.895    155
       3151.49   7.886     55
       3150.15   7.883     56
       3148.93   7.880    171
       3148.56   7.879    189
       3146.61   7.874    173
       2993.65   7.491     50
       2991.94   7.487    274
       2989.75   7.481    189
       2987.79   7.477    121
       2986.69   7.474    126
       2985.84   7.472    169
       2983.89   7.467    387
       2982.30   7.463    360
       2980.22   7.458     41
       2979.13   7.455     45
       2937.99   7.352     68
       2936.28   7.348     51
       2934.08   7.342    185
       2932.25   7.338    187
       2931.15   7.335    173
       2929.69   7.331    397
       2927.25   7.325    262
       2926.27   7.323    201
       2925.42   7.320    465
       2924.44   7.318    362
       2923.34   7.315    625
       2922.97   7.314    621
       2921.75   7.311    664
       2918.70   7.304    351
       2916.87   7.299    150
       2912.60   7.288    243
       2910.77   7.284    266
       2908.33   7.278     72
       2905.88   7.272    126
       2904.42   7.268    105
       2903.44   7.265    174
       2897.71   7.251     74
       2896.00   7.247     65
       1301.51   3.257   1000
    

in CDCl3

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KBr disc

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nujol mull

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