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Dimethyl 3,3'-[8"-(1'"-benzoyloxy-4"'-(tetrahydropyran-2-yl)oxybut-1"'-yl)-2",7",12",18"-tetramethyl-2",3"-dihydro-21H.23H-porphyrin-13",17"-diyl]-dipropionate
SpectraBase Compound ID 7ZbdSb0b4jP
InChI InChI=1S/C48H54N4O8/c1-28-23-33-24-37-31(4)47(43(60-48(55)32-13-8-7-9-14-32)15-12-22-59-46-16-10-11-21-58-46)42(52-37)26-39-30(3)35(18-20-45(54)57-6)41(51-39)27-40-34(17-19-44(53)56-5)29(2)38(50-40)25-36(28)49-33/h7-9,13-14,23-27,43,46,49,51H,10-12,15-22H2,1-6H3/b33-24-,36-25-,37-24-,38-25-,39-26-,40-27-,41-27-,42-26-
InChIKey JASKCXFHAKKMDK-RQULLKQSSA-N
Mol Weight 815.0 g/mol
Molecular Formula C48H54N4O8
Exact Mass 814.394165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4wtE5UQCpMt
Name Dimethyl 3,3'-[8"-(1'"-benzoyloxy-4"'-(tetrahydropyran-2-yl)oxybut-1"'-yl)-2",7",12",18"-tetramethyl-2",3"-dihydro-21H.23H-porphyrin-13",17"-diyl]-dipropionate
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Formula C48H54N4O8
InChI InChI=1S/C48H54N4O8/c1-28-23-33-24-37-31(4)47(43(60-48(55)32-13-8-7-9-14-32)15-12-22-59-46-16-10-11-21-58-46)42(52-37)26-39-30(3)35(18-20-45(54)57-6)41(51-39)27-40-34(17-19-44(53)56-5)29(2)38(50-40)25-36(28)49-33/h7-9,13-14,23-27,43,46,49,51H,10-12,15-22H2,1-6H3/b33-24-,36-25-,37-24-,38-25-,39-26-,40-27-,41-27-,42-26-
InChIKey JASKCXFHAKKMDK-RQULLKQSSA-N
Molecular Weight 814.980 g/mol
SMILES [nH]1c2cc(c1cc1nc(cc3[nH]c(cc4nc(c2)c(c4C(OC(=O)c2ccccc2)CCCOC2OCCCC2)C)c(c3CCC(=O)OC)C)c(c1C)CCC(=O)OC)C
SPLASH splash10-0a4i-0000009000-4d1dbb57166e83ccbf7d
Source of Spectrum U-1995-1036-13
Wiley ID 767011