{5-(4-Cyanobutyl)-10,15,20-triphenylporphyrinato}nickel (II)

SpectraBase Compound ID	3uluE99pWON
InChI	InChI=1S/C42H29N5.Ni/c43-27-11-10-18-31-32-19-21-34(44-32)40(28-12-4-1-5-13-28)36-23-25-38(46-36)42(30-16-8-3-9-17-30)39-26-24-37(47-39)41(29-14-6-2-7-15-29)35-22-20-33(31)45-35;/h1-9,12-17,19-26H,10-11,18H2;/q-2;+4/b32-31-,33-31-,40-34-,40-36-,41-35-,41-37-,42-38-,42-39-;
InChIKey	SVMYFLLRXUBBSX-SNGGVJMRSA-N Google Search
Mol Weight	662.4 g/mol
Molecular Formula	C42H29N5Ni
Exact Mass	661.177638 g/mol

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SpectraBase Spectrum ID	9a6rIr3EoV0
Name	{5-(4-Cyanobutyl)-10,15,20-triphenylporphyrinato}nickel (II)
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C42H29N5Ni
InChI	InChI=1S/C42H29N5.Ni/c43-27-11-10-18-31-32-19-21-34(44-32)40(28-12-4-1-5-13-28)36-23-25-38(46-36)42(30-16-8-3-9-17-30)39-26-24-37(47-39)41(29-14-6-2-7-15-29)35-22-20-33(31)45-35;/h1-9,12-17,19-26H,10-11,18H2;/q-2;+4/b32-31-,33-31-,40-34-,40-36-,41-35-,41-37-,42-38-,42-39-;
InChIKey	SVMYFLLRXUBBSX-SNGGVJMRSA-N
Molecular Weight	662.422 g/mol
SMILES	c12[n]3[Ni+2][n]4c(c(c5nc(c2-c2ccccc2)cc5)-c2ccccc2)ccc4c(c2nc(c(c3cc1)CCCC#N)cc2)-c1ccccc1
SPLASH	splash10-03di-0000009000-bbd468eb02d8c8b508b3
Source of Spectrum	F-56-590-13
Wiley ID	855692