For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-(4'-methyl-N-methyleneaniline)-5,10,15,20-tetrakis(4''-isopropylphenyl)porphyrinatonickel (II)
SpectraBase Compound ID ILI24XZZy43
InChI InChI=1S/C64H59N5.Ni/c1-38(2)43-12-20-47(21-13-43)60-53-30-31-54(66-53)61(48-22-14-44(15-23-48)39(3)4)56-34-35-58(68-56)63(50-26-18-46(19-27-50)41(7)8)64-51(37-65-52-28-10-42(9)11-29-52)36-59(69-64)62(57-33-32-55(60)67-57)49-24-16-45(17-25-49)40(5)6;/h10-41H,1-9H3;/q-2;+2/b60-53-,60-55-,61-54-,61-56-,62-57-,62-59-,63-58-,64-63-,65-37-;
InChIKey BZWHFZREOXGKDC-KQSPGNGESA-N
Mol Weight 956.9 g/mol
Molecular Formula C64H59N5Ni
Exact Mass 955.412389 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID AZpVIG79LV4
Name 2-(4'-methyl-N-methyleneaniline)-5,10,15,20-tetrakis(4''-isopropylphenyl)porphyrinatonickel (II)
Appearance Maroon red solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C64H59N5Ni
InChI InChI=1S/C64H59N5.Ni/c1-38(2)43-12-20-47(21-13-43)60-53-30-31-54(66-53)61(48-22-14-44(15-23-48)39(3)4)56-34-35-58(68-56)63(50-26-18-46(19-27-50)41(7)8)64-51(37-65-52-28-10-42(9)11-29-52)36-59(69-64)62(57-33-32-55(60)67-57)49-24-16-45(17-25-49)40(5)6;/h10-41H,1-9H3;/q-2;+2/b60-53-,60-55-,61-54-,61-56-,62-57-,62-59-,63-58-,64-63-,65-37-;
InChIKey BZWHFZREOXGKDC-KQSPGNGESA-N
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3526
Molecular Weight 956.904 g/mol
SMILES c12[n]3c(cc2)c(-c2ccc(cc2)C(C)C)c2nc(cc2\C=N/c2ccc(cc2)C)c(-c2ccc(cc2)C(C)C)c2ccc([n]2[Ni]3)c(-c2ccc(cc2)C(C)C)c2ccc(n2)c1-c1ccc(cc1)C(C)C
SPLASH splash10-002u-0000000092-b99321f0a3f8be7360db
Source of Spectrum Y-56-1525-2
Wiley ID 1859542