36536-22-8

Hexacyanine 2(36536-22-8) ¹H NMR

Product NameHexacyanine 2

CAS 36536-22-8

Molecular FormulaC27H31IN2

Molecular Weight510.45

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Hexacyanine 2(36536-22-8) <sup>1</sup>H NMR
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

Hexacyanine 2(36536-22-8) <sup>1</sup>H NMR

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

    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