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Copper, [2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphine-5,15-dicarboxaldehyda to(2-)-N21,N22,N23,N24]-, (SP-4-1)-
SpectraBase Compound ID nLz9aJuHlN
InChI InChI=1S/C38H45N4O2.Cu/c1-9-21-25(13-5)35-29(19-43)36-27(15-7)23(11-3)33(41-36)18-34-24(12-4)28(16-8)38(42-34)30(20-44)37-26(14-6)22(10-2)32(40-37)17-31(21)39-35;/h17-20H,9-16H2,1-8H3,(H-,39,40,41,42,43,44);/q-1;+2/p-1/b31-17-,32-17-,33-18-,34-18-,35-29-,36-29-,37-30-,38-30-;
InChIKey YKJUXJKZYHASTD-WACPSZRISA-M
Mol Weight 652.3 g/mol
Molecular Formula C38H44CuN4O2
Exact Mass 651.276024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CP2UqDidxTg
Name Copper, [2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphine-5,15-dicarboxaldehyda to(2-)-N21,N22,N23,N24]-, (SP-4-1)-
CAS Registry Number 57628-85-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H44CuN4O2
InChI InChI=1S/C38H45N4O2.Cu/c1-9-21-25(13-5)35-29(19-43)36-27(15-7)23(11-3)33(41-36)18-34-24(12-4)28(16-8)38(42-34)30(20-44)37-26(14-6)22(10-2)32(40-37)17-31(21)39-35;/h17-20H,9-16H2,1-8H3,(H-,39,40,41,42,43,44);/q-1;+2/p-1/b31-17-,32-17-,33-18-,34-18-,35-29-,36-29-,37-30-,38-30-;
InChIKey YKJUXJKZYHASTD-WACPSZRISA-M
Molecular Weight 652.342 g/mol
SMILES c12[n]3[Cu][n]4c(cc5nc(c2C=O)c(c5CC)CC)c(c(c4c(c2nc(cc3c(CC)c1CC)c(c2CC)CC)C=O)CC)CC
SPLASH splash10-0udi-0000009000-b23e4d5c68ad38f90490
Source of Spectrum KC-1982-584-0
Synonyms .alpha.,.gamma.-diformyloctaethylporphyrin 21H,23H-porphine-5,15-dicarboxaldehyde, 2,3,7,8,12,13,17,18-octaethyl-, copper complex 4,5,9,10,14,15,19,20-octaethyl-21,23,24,25-tetraaza-22-cuprahexacyclo[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-2,12-dicarbaldehyde
Wiley ID 1413167