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Copper, [tetramethyl 3,8,13,18-tetramethyl-21H,23H-porphine-2,7,12,17-tetrapropanoato(2-)-N21,N22,N23,N24]-, (SP-4-1)-
SpectraBase Compound ID L2dBKAF7J3K
InChI InChI=1S/C40H44N4O8.Cu/c1-21-25(9-13-37(45)49-5)33-18-31-23(3)27(11-15-39(47)51-7)35(43-31)20-36-28(12-16-40(48)52-8)24(4)32(44-36)19-34-26(10-14-38(46)50-6)22(2)30(42-34)17-29(21)41-33;/h17-20H,9-16H2,1-8H3;/q-2;+2/b29-17-,30-17+,31-18-,32-19-,33-18-,34-19-,35-20+,36-20-;
InChIKey OXYHTUYTTTVPHW-GZCAKDEPSA-N
Mol Weight 772.4 g/mol
Molecular Formula C40H44CuN4O8
Exact Mass 771.245511 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2DhxhnK6auF
Name Copper, [tetramethyl 3,8,13,18-tetramethyl-21H,23H-porphine-2,7,12,17-tetrapropanoato(2-)-N21,N22,N23,N24]-, (SP-4-1)-
CAS Registry Number 54111-68-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H44CuN4O8
InChI InChI=1S/C40H44N4O8.Cu/c1-21-25(9-13-37(45)49-5)33-18-31-23(3)27(11-15-39(47)51-7)35(43-31)20-36-28(12-16-40(48)52-8)24(4)32(44-36)19-34-26(10-14-38(46)50-6)22(2)30(42-34)17-29(21)41-33;/h17-20H,9-16H2,1-8H3;/q-2;+2/b29-17-,30-17+,31-18-,32-19-,33-18-,34-19-,35-20+,36-20-;
InChIKey OXYHTUYTTTVPHW-GZCAKDEPSA-N
Molecular Weight 772.358 g/mol
SMILES COC(=O)CCc1c(C)c2cc3nc(cc4c(C)c(CCC(=O)OC)c([n-]4)cc4nc(cc1[n-]2)c(C)c4CCC(=O)OC)c(CCC(=O)OC)c3C.[Cu+2]
SPLASH splash10-00di-0000002900-2d0a19f622fe5a331aa8
Source of Spectrum KO-4-115-1
Wiley ID 1416732