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Etioporphyrin I nickel
SpectraBase Compound ID Evjmd4YVdly
InChI InChI=1S/C32H36N4.Ni/c1-9-21-17(5)25-14-30-23(11-3)19(7)27(35-30)16-32-24(12-4)20(8)28(36-32)15-31-22(10-2)18(6)26(34-31)13-29(21)33-25;/h13-16H,9-12H2,1-8H3;/q-2;+2/b25-14-,26-13-,27-16-,28-15-,29-13-,30-14-,31-15-,32-16-;
InChIKey SPKLBIKKHWTZSI-UGIVYKKHSA-N
Mol Weight 535.4 g/mol
Molecular Formula C32H36N4Ni
Exact Mass 534.229339 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GIUXYaQkDTl
Name Nickel, [2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-21H,23H-porphinato(2-)-N21,N22,N23,N24]-, (SP-4-2)-
CAS Registry Number 39010-86-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H36N4Ni
InChI InChI=1S/C32H36N4.Ni/c1-9-21-17(5)25-14-30-23(11-3)19(7)27(35-30)16-32-24(12-4)20(8)28(36-32)15-31-22(10-2)18(6)26(34-31)13-29(21)33-25;/h13-16H,9-12H2,1-8H3;/q-2;+2/b25-14-,26-13-,27-16-,28-15-,29-13-,30-14-,31-15-,32-16-;
InChIKey SPKLBIKKHWTZSI-UGIVYKKHSA-N
Molecular Weight 535.361 g/mol
SMILES c12[n]3[Ni][n]4c(cc5nc(c2)c(c5C)CC)c(c(c4cc2nc(cc3c(CC)c1C)c(c2CC)C)C)CC
SPLASH splash10-0019-0000090000-c8894a5654ae238d5b2f
Source of Spectrum H-72-195-0
Synonyms 21H,23H-porphine, 2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-, nickel complex 4,9,14,19-tetraethyl-5,10,15,20-tetramethyl-21,23,24,25-tetraaza-22-nickelahexacyclo[9.9.3.1(3,6).1(13,16).0(8,23).0(18,21)]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaene Etioporphyrinato nickel(II)
Wiley ID 1403865