四苯基卟啉镍(14172-92-0)红外图谱(IR2)
分子式:C44H28N4Ni
分子量: 671.41
InChI:InChI=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
Smiles:N12[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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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