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5,10,15-Tris(3-hydroxyphenyl)-20-pentylporphyrin
SpectraBase Compound ID GwSvremZfew
InChI InChI=1S/C43H36N4O3/c1-2-3-4-14-32-33-15-17-35(44-33)41(26-8-5-11-29(48)23-26)37-19-21-39(46-37)43(28-10-7-13-31(50)25-28)40-22-20-38(47-40)42(36-18-16-34(32)45-36)27-9-6-12-30(49)24-27/h5-13,15-25,44,47-50H,2-4,14H2,1H3/b33-32-,34-32-,41-35-,41-37-,42-36-,42-38-,43-39-,43-40-
InChIKey ZTPHHROJQOITNM-WPHQCOOLSA-N
Mol Weight 656.8 g/mol
Molecular Formula C43H36N4O3
Exact Mass 656.278741 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1u0tvh9InH1
Name 5,10,15-Tris(3-hydroxyphenyl)-20-pentylporphyrin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C43H36N4O3
InChI InChI=1S/C43H36N4O3/c1-2-3-4-14-32-33-15-17-35(44-33)41(26-8-5-11-29(48)23-26)37-19-21-39(46-37)43(28-10-7-13-31(50)25-28)40-22-20-38(47-40)42(36-18-16-34(32)45-36)27-9-6-12-30(49)24-27/h5-13,15-25,44,47-50H,2-4,14H2,1H3/b33-32-,34-32-,41-35-,41-37-,42-36-,42-38-,43-39-,43-40-
InChIKey ZTPHHROJQOITNM-WPHQCOOLSA-N
Molecular Weight 656.786 g/mol
SMILES [nH]1c2c(-c3cc(ccc3)O)c3nc(c(c4ccc(c(c5nc(c(c1cc2)-c1cc(O)ccc1)cc5)CCCCC)[nH]4)-c1cc(O)ccc1)cc3
SPLASH splash10-0aba-0600059000-44c668bca16b927c5d9d
Source of Spectrum KC-61-5562-87
Synonyms 3-[12,17-bis(3-hydroxyphenyl)-7-pentyl-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
Wiley ID 1629545