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1,1'-{8,8'-Bis[3-acetyl-2,7,12,18-tetramethyl-13,17-bis(2-methoxycarbonylethyl)-21H,23H-porphyrin]}ethyl ether [(3-acetyl-8-(1-hydroxyethyl)-2,7,12,18-tetramethyl-13,17-bis(2-methoxycarbonylethyl)-21H,23H-porphyrin) dimer]
SpectraBase Compound ID 1tUj51qSkp9
InChI InChI=1S/C72H78N8O11/c1-33-45(17-21-65(83)87-13)57-31-59-47(19-23-67(85)89-15)35(3)51(75-59)27-63-71(39(7)55(79-63)29-61-69(41(9)81)37(5)53(77-61)25-49(33)73-57)43(11)91-44(12)72-40(8)56-30-62-70(42(10)82)38(6)54(78-62)26-50-34(2)46(18-22-66(84)88-14)58(74-50)32-60-48(20-24-68(86)90-16)36(4)52(76-60)28-64(72)80-56/h25-32,43-44,75-78H,17-24H2,1-16H3/b49-25-,50-26-,51-27-,52-28-,53-25-,54-26-,55-29-,56-30-,57-31-,58-32-,59-31-,60-32-,61-29-,62-30-,63-27-,64-28-
InChIKey JZRLNIXJNRAEJB-ZBBNYIMUSA-N
Mol Weight 1231.5 g/mol
Molecular Formula C72H78N8O11
Exact Mass 1230.579005 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ZB59FaEKu8
Name 1,1'-{8,8'-Bis[3-acetyl-2,7,12,18-tetramethyl-13,17-bis(2-methoxycarbonylethyl)-21H,23H-porphyrin]}ethyl ether [(3-acetyl-8-(1-hydroxyethyl)-2,7,12,18-tetramethyl-13,17-bis(2-methoxycarbonylethyl)-21H,23H-porphyrin) dimer]
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Formula C72H78N8O11
InChI InChI=1S/C72H78N8O11/c1-33-45(17-21-65(83)87-13)57-31-59-47(19-23-67(85)89-15)35(3)51(75-59)27-63-71(39(7)55(79-63)29-61-69(41(9)81)37(5)53(77-61)25-49(33)73-57)43(11)91-44(12)72-40(8)56-30-62-70(42(10)82)38(6)54(78-62)26-50-34(2)46(18-22-66(84)88-14)58(74-50)32-60-48(20-24-68(86)90-16)36(4)52(76-60)28-64(72)80-56/h25-32,43-44,75-78H,17-24H2,1-16H3/b49-25-,50-26-,51-27-,52-28-,53-25-,54-26-,55-29-,56-30-,57-31-,58-32-,59-31-,60-32-,61-29-,62-30-,63-27-,64-28-
InChIKey JZRLNIXJNRAEJB-ZBBNYIMUSA-N
Molecular Weight 1231.461 g/mol
SMILES [nH]1c2cc3c(c(C(OC(c4c(c5cc6c(c(c(cc7nc(cc8[nH]c(cc4n5)c(c8CCC(=O)OC)C)c(c7C)CCC(=O)OC)[nH]6)C)C(=O)C)C)C)C)c(cc4c(c(c(cc5nc(cc1c(c2C(=O)C)C)c(c5CCC(=O)OC)C)[nH]4)CCC(=O)OC)C)n3)C
SPLASH splash10-001i-0090001000-414de8b4834d7ce5d5fb
Source of Spectrum AT-31-6410-8
Synonyms 1,1'-{8,8'-Bis[3-acetyl-2,7,12,18-tetramethyl-13,17-bis(2-methoxycarbonylethyl)-21H,23H-porphyrin]}ethyl ether isomer [(3-acetyl-8-(1-hydroxyethyl)-2,7,12,18-tetramethyl-13,17-bis(2-methoxycarbonylethyl)-21H,23H-porphyrin) dimer isomer]
Wiley ID 835835