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返回ChemicalBook首页>CAS数据库列表>36536-22-8更多图谱> 1,1',3,3,3',3'-六甲基吲哚双碳菁碘(36536-22-8)核磁图(13CNMR)

36536-22-8

1,1',3,3,3',3'-六甲基吲哚双碳菁碘(36536-22-8)核磁图(13CNMR)

分子式:C27H31IN2

分子量: 510.45

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    Mass

    MS-NW-7675          
    1,1',3,3,3',3'-hexamethylindodicarbocyanine iodide
    C27H31IN2           (Mass of molecular ion:    510)
    

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

          15.0       5.2
          27.0       1.6
          39.0       3.0
          41.0       1.1
          42.0       1.3
          50.0       1.3
          51.0       3.9
          52.0       1.0
          56.0       2.8
          63.0       2.4
          64.0       1.2
          65.0       2.1
          71.5       1.7
          72.0       1.2
          75.0       1.6
          76.0       1.7
          77.0       5.8
          77.5       1.0
          78.0       1.7
          78.5       3.0
          79.0       3.7
          79.5       1.9
          85.5       1.4
          86.5       1.7
          89.0       2.3
          90.0       1.3
          91.0       3.5
         101.0       1.3
         102.0       2.5
         103.0       2.7
         115.0       8.8
         116.0       3.2
         117.0       4.1
         118.0       1.5
         127.0       9.9
         128.0       9.0
         129.0       2.5
         130.0       3.2
         131.0       1.6
         139.0       1.0
         140.0       1.1
         141.0       3.0
         142.0      24.1
         143.0      10.6
         144.0      16.0
         145.0       4.6
         146.0       1.1
         152.0       1.0
         154.0       2.2
         156.0       4.9
         157.0       7.4
         158.0     100.0
         159.0      34.6
         160.0       6.7
         161.0       1.3
         167.0       2.6
         168.0       3.0
         169.0       2.7
         170.0       2.3
         171.0       1.8
         172.0      12.1
         173.0      28.4
         174.0       4.2
         175.0       1.0
         176.0       1.3
         176.5       1.7
         180.0       6.2
         181.0       5.1
         182.0       3.6
         183.0       1.1
         184.0       5.7
         185.0       1.2
         186.0       1.6
         187.0       2.0
         192.0       1.0
         193.0       1.0
         194.0       3.5
         195.0       1.8
         196.0       5.2
         197.0       1.5
         198.0       1.0
         199.0       1.4
         206.0       1.5
         208.0       4.1
         209.0       1.8
         210.0       2.7
         220.0       1.0
         221.0       1.0
         222.0       1.6
         223.0       1.0
         238.0       1.1
         323.0       1.1
         327.0       1.3
         337.0       1.1
         338.0       1.2
         342.0       2.2
         352.0       1.2
         353.0       9.7
         354.0       3.3
         367.0       3.0
         368.0      12.7
         369.0       4.6
         370.0       1.1
         382.0       6.7
         383.0       2.4
         384.0       1.8
         390.0       1.1
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C27 H31 I N2 0.024 g : 0.5 ml DMSO-d6
    1,1',3,3,3',3'-hexamethylindodicarbocyanine iodide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.328 B 7.617 C 7.41 D 7.39 E 7.251 F 6.546 G 6.275 J 3.601 K 1.683

         Hz     ppm     Int.
    

       3341.80   8.362     32
       3328.98   8.330     49
       3328.61   8.329     50
       3328.25   8.328     50
       3315.43   8.296     36
       3048.10   7.627     77
       3040.77   7.609     91
       2963.50   7.416     62
       2962.40   7.413     65
       2955.93   7.397    178
       2954.96   7.394    131
       2948.12   7.377     32
       2905.76   7.271     47
       2903.93   7.267     41
       2899.05   7.254     50
       2898.32   7.253     58
       2897.34   7.250     54
       2896.61   7.248     50
       2891.85   7.236     38
       2889.89   7.232     36
       2616.09   6.546     37
       2514.65   6.293     76
       2500.73   6.258     74
       1439.45   3.602    654
        672.73   1.684   1000
    

in DMSO-d6

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KBr disc

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nujol mull

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