14172-92-0

5,10,15,20-Tetraphenyl-21H,23H-porphine nickel(II)(14172-92-0) IR1

Product Name5,10,15,20-Tetraphenyl-21H,23H-porphine nickel(II)

Molecular FormulaC44H28N4Ni

Molecular Weight671.41

InChIInChI=1S/C44H28N4.Ni/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h1-28H;/q-2;+2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;

InChIKey CXIRWLOIAQYBLZ-DAJBKUBHSA-N

SmilesN12[Ni]N3C4C=CC3=C(C3C=CC(N=3)=C(C3=CC=CC=C3)C1=CC=C2C(C1=CC=CC=C1)=C1C=CC(C=4C2=CC=CC=C2)=N1)C1=CC=CC=C1 |c:7,14,41,t:36|

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IR1

IR2

5,10,15,20-Tetraphenyl-21H,23H-porphine nickel(II)(14172-92-0) IR1
Mass

MS-NW-9969          
(5,10,15,20-tetraphenylporphyrinato)nickel(II)
C44H28N4Ni          (Mass of molecular ion:    670)

   Source Temperature: 200 °C
   Sample Temperature: 250 °C
   Direct, 75 eV

      18.0       4.5
      28.0       1.8
     256.0       1.3
     256.5       1.0
     257.0      13.6
     257.5       8.3
     258.0      10.3
     258.5       4.7
     259.0       3.1
     259.5       1.1
     275.5       1.2
     281.0       1.9
     281.5       1.3
     282.0       2.5
     282.5       1.4
     283.0       1.4
     287.5       3.0
     288.0       2.7
     288.5       3.5
     289.0       2.4
     289.5       1.5
     293.0       2.1
     293.5       1.7
     294.0      15.2
     294.5      11.8
     295.0      22.9
     295.5      18.6
     296.0      26.9
     296.5      17.3
     297.0      12.1
     297.5       6.0
     298.0       2.7
     298.5       1.2
     312.5       1.0
     318.0       1.0
     319.0       1.5
     319.5       1.1
     320.0       1.2
     324.5       1.2
     325.0       1.1
     325.5       1.6
     326.0       1.7
     326.5       1.7
     327.0       1.7
     327.5       1.2
     331.0       3.3
     331.5       2.6
     332.0       4.5
     332.5       3.5
     333.0       4.9
     333.5       4.3
     334.0       6.2
     334.5       6.0
     335.0      22.1
     335.5      11.4
     336.0      10.4
     336.5       4.7
     337.0       2.3
     514.0       6.1
     515.0       3.3
     516.0       8.5
     517.0       3.5
     518.0       3.2
     519.0       1.1
     588.0       4.4
     589.0       2.8
     590.0       9.5
     591.0       6.2
     592.0      18.1
     593.0       9.7
     594.0       8.1
     595.0       3.8
     596.0       1.8
     664.0       1.4
     666.0       2.1
     667.0       1.8
     668.0       5.5
     669.0       5.2
     670.0     100.0
     671.0      49.8
     672.0      50.9
     673.0      22.6
     674.0      11.1
     675.0       3.7
     676.0       2.1

KBr disc