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1,1'-{3,3'-Bis[8-ethyl-2,7,12,18-tetramethyl-13,17-bis(2-methoxycarbonylethyl)-21H,23H-porphyrin]}ethyl ether
SpectraBase Compound ID AXYLpnVAUsm
InChI InChI=1S/C72H82N8O9/c1-17-45-35(3)55-31-65-71(41(9)57(79-65)27-51-37(5)47(19-23-67(81)85-13)61(75-51)33-63-49(21-25-69(83)87-15)39(7)53(77-63)29-59(45)73-55)43(11)89-44(12)72-42(10)58-28-52-38(6)48(20-24-68(82)86-14)62(76-52)34-64-50(22-26-70(84)88-16)40(8)54(78-64)30-60-46(18-2)36(4)56(74-60)32-66(72)80-58/h27-34,43-44,77-80H,17-26H2,1-16H3/b51-27-,52-28-,53-29-,54-30-,55-31-,56-32-,57-27-,58-28-,59-29-,60-30-,61-33-,62-34-,63-33-,64-34-,65-31-,66-32-
InChIKey IWRAWQSYOBYCFY-UFZMFQFXSA-N
Mol Weight 1203.5 g/mol
Molecular Formula C72H82N8O9
Exact Mass 1202.620476 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5T4D6klXL1j
Name 1,1'-{3,3'-Bis[8-ethyl-2,7,12,18-tetramethyl-13,17-bis(2-methoxycarbonylethyl)-21H,23H-porphyrin]}ethyl ether
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Formula C72H82N8O9
InChI InChI=1S/C72H82N8O9/c1-17-45-35(3)55-31-65-71(41(9)57(79-65)27-51-37(5)47(19-23-67(81)85-13)61(75-51)33-63-49(21-25-69(83)87-15)39(7)53(77-63)29-59(45)73-55)43(11)89-44(12)72-42(10)58-28-52-38(6)48(20-24-68(82)86-14)62(76-52)34-64-50(22-26-70(84)88-16)40(8)54(78-64)30-60-46(18-2)36(4)56(74-60)32-66(72)80-58/h27-34,43-44,77-80H,17-26H2,1-16H3/b51-27-,52-28-,53-29-,54-30-,55-31-,56-32-,57-27-,58-28-,59-29-,60-30-,61-33-,62-34-,63-33-,64-34-,65-31-,66-32-
InChIKey IWRAWQSYOBYCFY-UFZMFQFXSA-N
Molecular Weight 1203.495 g/mol
SMILES [nH]1c2c(C(OC(c3c4cc5nc(cc6c(c(c(cc7nc(cc(c3C)[nH]4)c(c7CCC(=O)OC)C)[nH]6)CCC(=O)OC)C)c(c5C)CC)C)C)c(c1cc1nc(cc3c(c(c(cc4nc(c2)c(c4CC)C)[nH]3)C)CCC(=O)OC)c(c1C)CCC(=O)OC)C
SPLASH splash10-0udi-0090030100-4d86d863d16b46ac34d1
Source of Spectrum AT-31-6412-11a
Synonyms (8-ethyl-3-(1-hydroxyethyl)-2,7,12,18-tetramethyl-13,17-bis(2-methoxycarbonylethyl)-21H,23H-porphyrin) dimer
Wiley ID 835829