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5-Hexyl-15-(3-hydroxyphenyl)-10,20-diphenylporphyrin
SpectraBase Compound ID 4rltH2nS4po
InChI InChI=1S/C44H38N4O/c1-2-3-4-11-19-33-34-20-22-36(45-34)42(29-13-7-5-8-14-29)38-24-26-40(47-38)44(31-17-12-18-32(49)28-31)41-27-25-39(48-41)43(30-15-9-6-10-16-30)37-23-21-35(33)46-37/h5-10,12-18,20-28,45,48-49H,2-4,11,19H2,1H3/b34-33-,35-33-,42-36-,42-38-,43-37-,43-39-,44-40-,44-41-
InChIKey CIQQFBCBQMFWDQ-UDYGMXFRSA-N
Mol Weight 638.8 g/mol
Molecular Formula C44H38N4O
Exact Mass 638.304562 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CwiYc5I1pUP
Name 5-Hexyl-15-(3-hydroxyphenyl)-10,20-diphenylporphyrin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H38N4O
InChI InChI=1S/C44H38N4O/c1-2-3-4-11-19-33-34-20-22-36(45-34)42(29-13-7-5-8-14-29)38-24-26-40(47-38)44(31-17-12-18-32(49)28-31)41-27-25-39(48-41)43(30-15-9-6-10-16-30)37-23-21-35(33)46-37/h5-10,12-18,20-28,45,48-49H,2-4,11,19H2,1H3/b34-33-,35-33-,42-36-,42-38-,43-37-,43-39-,44-40-,44-41-
InChIKey CIQQFBCBQMFWDQ-UDYGMXFRSA-N
Molecular Weight 638.815 g/mol
SMILES [nH]1c2c(-c3cc(ccc3)O)c3nc(c(c4ccc(c(c5nc(c(c1cc2)-c1ccccc1)cc5)CCCCCC)[nH]4)-c1ccccc1)cc3
SPLASH splash10-014r-0005098000-b9565bd0a0cfc3a3f5be
Source of Spectrum KC-91-5555-63
Synonyms 3-[12-hexyl-7,17-diphenyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]phenol
Wiley ID 1629464