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1H-Isoindole-1,3(2H)-dione, 2-[6-[(2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphin-5-yl)methoxy]hex yl]-
SpectraBase Compound ID 1uMceh3dRIA
InChI InChI=1S/C51H63N5O3/c1-9-31-33(11-3)44-28-46-35(13-5)37(15-7)48(54-46)41(30-59-26-22-18-17-21-25-56-50(57)39-23-19-20-24-40(39)51(56)58)49-38(16-8)36(14-6)47(55-49)29-45-34(12-4)32(10-2)43(53-45)27-42(31)52-44/h19-20,23-24,27-29,52,55H,9-18,21-22,25-26,30H2,1-8H3/b42-27-,43-27-,44-28-,45-29-,46-28-,47-29-,48-41-,49-41-
InChIKey YKLHFUOHBXJOMS-TYVMUDAQSA-N
Mol Weight 794.1 g/mol
Molecular Formula C51H63N5O3
Exact Mass 793.493091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BOnd1U4L2Fb
Name 1H-Isoindole-1,3(2H)-dione, 2-[6-[(2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphin-5-yl)methoxy]hex yl]-
CAS Registry Number 80063-86-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C51H63N5O3
InChI InChI=1S/C51H63N5O3/c1-9-31-33(11-3)44-28-46-35(13-5)37(15-7)48(54-46)41(30-59-26-22-18-17-21-25-56-50(57)39-23-19-20-24-40(39)51(56)58)49-38(16-8)36(14-6)47(55-49)29-45-34(12-4)32(10-2)43(53-45)27-42(31)52-44/h19-20,23-24,27-29,52,55H,9-18,21-22,25-26,30H2,1-8H3/b42-27-,43-27-,44-28-,45-29-,46-28-,47-29-,48-41-,49-41-
InChIKey YKLHFUOHBXJOMS-TYVMUDAQSA-N
Molecular Weight 794.097 g/mol
SMILES [nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2COCCCCCCN2C(c5ccccc5C2=O)=O)c(c4CC)CC)c(c3CC)CC)c(c1CC)CC)CC)CC
SPLASH splash10-0002-0000090100-f2c1a568c4dd8b33961a
Source of Spectrum KC-1981-2628-0
Synonyms 2-(6-{[4,5,9,10,14,15,19,20-octaethyl-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]methoxy}hexyl)-1H-isoindole-1,3(2H)-dione 21H,23H-porphine, 1H-isoindole-1,3(2H)-dione deriv. meso-(phthalimidohexyloxymethyl)octaethylporphyrin
Wiley ID 1417065