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[2,3-Dihydro-2,2,7,8,12,13,17,18-octamethyl-22H,24H-porphinato]-(2-)-.kappa.-N(21),.kappa.-N(22).,.kappa.-N(23),.kappa.-N(24)] - nickel

View entire compound with spectra: 1 NMR, and 1 MS (GC)

[2,3-Dihydro-2,2,7,8,12,13,17,18-octamethyl-22H,24H-porphinato]-(2-)-.kappa.-N(21),.kappa.-N(22).,.kappa.-N(23),.kappa.-N(24)] - nickel
SpectraBase Compound ID 9R1Kj8uceZc
InChI InChI=1S/C28H30N4.Ni/c1-14-15(2)22-10-23-16(3)17(4)24(31-23)11-25-18(5)19(6)26(32-25)12-27-28(7,8)13-20(29-27)9-21(14)30-22;/h9-12H,13H2,1-8H3;/q-2;+2/b20-9-,21-9-,22-10-,23-10-,24-11-,25-11-,26-12-,27-12-;
InChIKey OSSLQMGBFSULMP-BCABOPFQSA-N
Mol Weight 481.27 g/mol
Molecular Formula C28H30N4Ni
Exact Mass 480.182389 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LYms8qSQntQ
Name [2,3-Dihydro-2,2,7,8,12,13,17,18-octamethyl-22H,24H-porphinato]-(2-)-.kappa.-N(21),.kappa.-N(22).,.kappa.-N(23),.kappa.-N(24)] - nickel
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 480.182388982 u
Formula C28H30N4Ni
InChI InChI=1S/C28H30N4.Ni/c1-14-15(2)22-10-23-16(3)17(4)24(31-23)11-25-18(5)19(6)26(32-25)12-27-28(7,8)13-20(29-27)9-21(14)30-22;/h9-12H,13H2,1-8H3;/q-2;+2/b20-9-,21-9-,22-10-,23-10-,24-11-,25-11-,26-12-,27-12-;
InChIKey OSSLQMGBFSULMP-BCABOPFQSA-N
Molecular Weight 481.269 g/mol
SMILES C=12N3[Ni]N4C(=CC5=NC(=C2)C(=C5C)C)C(=C(C4=CC2=NC(=CC3=C(C)C1C)C(C2)(C)C)C)C