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Phenol, 2,2',2'',2'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis-, stereoisomer
SpectraBase Compound ID Luxu6pb8XIu
InChI InChI=1S/C44H30N4O4/c49-37-13-5-1-9-25(37)41-29-17-19-31(45-29)42(26-10-2-6-14-38(26)50)33-21-23-35(47-33)44(28-12-4-8-16-40(28)52)36-24-22-34(48-36)43(32-20-18-30(41)46-32)27-11-3-7-15-39(27)51/h1-24,45,48-52H/b41-29-,41-30-,42-31-,42-33-,43-32-,43-34-,44-35-,44-36-
InChIKey RHBJMYOTXIENOZ-PABOUGRJSA-N
Mol Weight 678.7 g/mol
Molecular Formula C44H30N4O4
Exact Mass 678.226705 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID S5bvjt4h8M
Name Phenol, 2,2',2'',2'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis-, stereoisomer
Alternate Name(s) 2-[7,12,17-tris(2-hydroxyphenyl)-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]phenol 5,10,15,20-Tetrakis(2-hydroxyphenyl)porphyrin Phenol, 2,2',2'',2'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis-, stereoisomer
CAS Registry Number 113890-97-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H30N4O4
InChI InChI=1S/C44H30N4O4/c49-37-13-5-1-9-25(37)41-29-17-19-31(45-29)42(26-10-2-6-14-38(26)50)33-21-23-35(47-33)44(28-12-4-8-16-40(28)52)36-24-22-34(48-36)43(32-20-18-30(41)46-32)27-11-3-7-15-39(27)51/h1-24,45,48-52H/b41-29-,41-30-,42-31-,42-33-,43-32-,43-34-,44-35-,44-36-
InChIKey RHBJMYOTXIENOZ-PABOUGRJSA-N
Molecular Weight 678.748 g/mol
SMILES [nH]1c2c(c3nc(c(-c4c(cccc4)O)c4ccc(c(c5nc(c(c1cc2)-c1c(O)cccc1)cc5)-c1c(O)cccc1)[nH]4)cc3)-c1c(O)cccc1
SPLASH splash10-004i-0000009000-94357a1fa10b89fe84ab
Source of Spectrum H-70-1186-11
Wiley ID 1414283