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5,15-Bis(o-chloroacetamidophenyl)-2,8,12,18-tetraethyl-3,7,13,17-tetramethylporphyrin
SpectraBase Compound ID 3O4QfO1nbna
InChI InChI=1S/C48H50Cl2N6O2/c1-9-29-25(5)45-43(33-17-13-15-19-35(33)51-41(57)23-49)46-27(7)31(11-3)39(55-46)22-40-32(12-4)28(8)48(56-40)44(34-18-14-16-20-36(34)52-42(58)24-50)47-26(6)30(10-2)38(54-47)21-37(29)53-45/h13-22,53,56H,9-12,23-24H2,1-8H3,(H,51,57)(H,52,58)/b37-21-,38-21-,39-22-,40-22-,45-43-,46-43-,47-44-,48-44-
InChIKey IHWDGBGTXRFAPF-IOQCYVBJSA-N
Mol Weight 813.9 g/mol
Molecular Formula C48H50Cl2N6O2
Exact Mass 812.33723 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dl2kyHFGwMi
Name 5,15-Bis(o-chloroacetamidophenyl)-2,8,12,18-tetraethyl-3,7,13,17-tetramethylporphyrin
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Formula C48H50Cl2N6O2
InChI InChI=1S/C48H50Cl2N6O2/c1-9-29-25(5)45-43(33-17-13-15-19-35(33)51-41(57)23-49)46-27(7)31(11-3)39(55-46)22-40-32(12-4)28(8)48(56-40)44(34-18-14-16-20-36(34)52-42(58)24-50)47-26(6)30(10-2)38(54-47)21-37(29)53-45/h13-22,53,56H,9-12,23-24H2,1-8H3,(H,51,57)(H,52,58)/b37-21-,38-21-,39-22-,40-22-,45-43-,46-43-,47-44-,48-44-
InChIKey IHWDGBGTXRFAPF-IOQCYVBJSA-N
Molecular Weight 813.874 g/mol
SMILES [nH]1c2cc3nc(c(-c4c(cccc4)NC(=O)CCl)c4c(c(c(cc5nc(c(c1c(c2CC)C)-c1c(NC(=O)CCl)cccc1)c(c5CC)C)[nH]4)CC)C)c(c3CC)C
SPLASH splash10-03di-0000000690-f7cc1ebd91b9f4d68232
Source of Spectrum C3-22-622-3
Synonyms 2-Chloro-N-(2-{12-[2-(2-chloroacetamido)phenyl]-5,9,15,19-tetraethyl-4,10,14,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-2-yl}phenyl)acetamide
Wiley ID 879665