14055-02-8

NICKEL PHTHALOCYANINE(14055-02-8) MS

Molecular FormulaC32H16N8Ni

Molecular Weight571.22

InChIInChI=1S/C32H16N8.Ni/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16H;/q-2;+2

InChIKey LVIYYTJTOKJJOC-UHFFFAOYSA-N

SmilesN12[Ni]N3C4N=C5C6C=CC=CC=6C(=N5)N=C1C1C=CC=CC=1C2=NC1=NC(C2C=CC=CC1=2)=NC3=C1C=4C=CC=C1 |c:16,27,39,t:4|

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IR1

IR2

NICKEL PHTHALOCYANINE(14055-02-8) MS
Mass

MS-IW-3946          
nickel phthalocyanine
C32H16N8Ni          (Mass of molecular ion:    570)

   Source Temperature: 210 °C
   Sample Temperature: 300 °C
   Direct, 75 eV

      44.0       1.5
      58.0       9.4
      60.0       3.6
      75.0       1.1
      76.0       1.1
     101.0       1.7
     102.0       1.7
     128.0       6.4
     129.0       1.0
     157.0       1.7
     186.0      12.8
     187.0       1.5
     188.0       5.1
     190.0       1.7
     285.0      31.6
     285.5       1.8
     286.0      14.9
     286.5       3.3
     287.0       1.6
     330.0       1.2
     556.0       2.2
     558.0       1.2
     570.0     100.0
     571.0      39.4
     572.0      45.7
     573.0      17.5
     574.0       8.7
     575.0       2.6
     576.0       1.9
     586.0       2.8
     587.0       1.2
     588.0       1.2

KBr disc