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1,10-bis{ 4'-[10",15",20"-tris( 4"'-Methylphenyl) porphyrin-5"'-yl] phenoxy}decane
SpectraBase Compound ID B3GXCADKjqU
InChI InChI=1S/C104H90N8O2/c1-65-17-33-73(34-18-65)97-81-49-53-85(105-81)99(75-37-21-67(3)22-38-75)89-57-61-93(109-89)103(94-62-58-90(110-94)100(86-54-50-82(97)106-86)76-39-23-68(4)24-40-76)113-79-45-29-71(30-46-79)15-13-11-9-7-8-10-12-14-16-72-31-47-80(48-32-72)114-104-95-63-59-91(111-95)101(77-41-25-69(5)26-42-77)87-55-51-83(107-87)98(74-35-19-66(2)20-36-74)84-52-56-88(108-84)102(92-60-64-96(104)112-92)78-43-27-70(6)28-44-78/h17-64,105,107,110,112H,7-16H2,1-6H3/b97-81-,97-82-,98-83-,98-84-,99-85-,99-89-,100-86-,100-90-,101-87-,101-91-,102-88-,102-92-,103-93+,103-94+,104-95+,104-96+
InChIKey CUGWCSYWENAARC-PXYDDUOISA-N
Mol Weight 1483.9 g/mol
Molecular Formula C104H90N8O2
Exact Mass 1482.718674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3gC9iZp8ViZ
Name 1,10-bis{ 4'-[10",15",20"-tris( 4"'-Methylphenyl) porphyrin-5"'-yl] phenoxy}decane
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C104H90N8O2
InChI InChI=1S/C104H90N8O2/c1-65-17-33-73(34-18-65)97-81-49-53-85(105-81)99(75-37-21-67(3)22-38-75)89-57-61-93(109-89)103(94-62-58-90(110-94)100(86-54-50-82(97)106-86)76-39-23-68(4)24-40-76)113-79-45-29-71(30-46-79)15-13-11-9-7-8-10-12-14-16-72-31-47-80(48-32-72)114-104-95-63-59-91(111-95)101(77-41-25-69(5)26-42-77)87-55-51-83(107-87)98(74-35-19-66(2)20-36-74)84-52-56-88(108-84)102(92-60-64-96(104)112-92)78-43-27-70(6)28-44-78/h17-64,105,107,110,112H,7-16H2,1-6H3/b97-81-,97-82-,98-83-,98-84-,99-85-,99-89-,100-86-,100-90-,101-87-,101-91-,102-88-,102-92-,103-93+,103-94+,104-95+,104-96+
InChIKey CUGWCSYWENAARC-PXYDDUOISA-N
Molecular Weight 1483.918 g/mol
SMILES [nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4nc(c2-c2ccc(cc2)C)cc4)-c2ccc(cc2)C)cc3)-c2ccc(cc2)C)cc1)Oc1ccc(cc1)CCCCCCCCCCc1ccc(Oc2c3[nH]c(cc3)c(c3nc(cc3)c(c3[nH]c(cc3)c(c3nc2cc3)-c2ccc(cc2)C)-c2ccc(cc2)C)-c2ccc(cc2)C)cc1
SPLASH splash10-0006-0000300900-67ca56e198bb2400293d
Source of Spectrum K-129-1078-4
Synonyms 1,10-bis{4'-[10'',15'',20''-tris(4'''-Methylphenyl) porphyrin-5'''-yl]phenoxy}decane 2,7,12-tris(4-methylphenyl)-17-{4-[10-(4-{[7,12,17-tris(4-methylphenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]oxy}phenyl)decyl]phenoxy}-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-undecaene
Wiley ID 1418834