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Nickel, [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 BajmqBL94b5
InChI InChI=1S/C40H44N4O8.Ni/c1-21-25(9-13-37(45)49-5)33-18-30-23(3)27(11-15-39(47)51-7)35(43-30)20-32-24(4)28(12-16-40(48)52-8)36(44-32)19-31-22(2)26(10-14-38(46)50-6)34(42-31)17-29(21)41-33;/h17-20H,9-16H2,1-8H3;/q-2;+2/b29-17-,30-18-,31-19-,32-20-,33-18-,34-17-,35-20-,36-19-;
InChIKey OEOJESPGMPJLNW-GFNGJICESA-N
Mol Weight 767.5 g/mol
Molecular Formula C40H44N4NiO8
Exact Mass 766.251256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 73g2b6Oj0rX
Name Nickel, [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 64973-98-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H44N4NiO8
InChI InChI=1S/C40H44N4O8.Ni/c1-21-25(9-13-37(45)49-5)33-18-30-23(3)27(11-15-39(47)51-7)35(43-30)20-32-24(4)28(12-16-40(48)52-8)36(44-32)19-31-22(2)26(10-14-38(46)50-6)34(42-31)17-29(21)41-33;/h17-20H,9-16H2,1-8H3;/q-2;+2/b29-17-,30-18-,31-19-,32-20-,33-18-,34-17-,35-20-,36-19-;
InChIKey OEOJESPGMPJLNW-GFNGJICESA-N
Molecular Weight 767.505 g/mol
SMILES c12[n]3c(c(c2CCC(=O)OC)C)cc2nc(cc4[n]([Ni]3)c(cc3nc(c1)c(c3CCC(=O)OC)C)c(C)c4CCC(=O)OC)c(c2CCC(=O)OC)C
SPLASH splash10-014i-0000002900-7b7394c25e3d72166601
Source of Spectrum KO-4-115-1
Synonyms 21H,23H-porphine-2,7,12,17-tetrapropanoic acid, 3,8,13,18-tetramethyl-, tetramethyl ester, nickel complex Methyl 3-[4,14,19-tris(3-methoxy-3-oxopropyl)-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(20),2,4,6(25),7,9,11,13(24),14,16,18-undecaen-9-yl]propanoate Nickel-copro-porphyrin-i-permethyl ester
Wiley ID 1416644