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5,10,15-Triheptyl-20-(3-hydroxyphenyl)porphyrin
SpectraBase Compound ID DfzGigGPyD9
InChI InChI=1S/C47H60N4O/c1-4-7-10-13-16-22-36-39-25-27-41(48-39)37(23-17-14-11-8-5-2)43-29-31-45(50-43)47(34-20-19-21-35(52)33-34)46-32-30-44(51-46)38(24-18-15-12-9-6-3)42-28-26-40(36)49-42/h19-21,25-33,48,51-52H,4-18,22-24H2,1-3H3/b39-36-,40-36-,41-37-,42-38-,43-37-,44-38-,47-45-,47-46-
InChIKey OWSHSLRUAHLZBA-AEKXSQBHSA-N
Mol Weight 697.0 g/mol
Molecular Formula C47H60N4O
Exact Mass 696.476713 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Icfe5M5dKs
Name 5,10,15-Triheptyl-20-(3-hydroxyphenyl)porphyrin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C47H60N4O
InChI InChI=1S/C47H60N4O/c1-4-7-10-13-16-22-36-39-25-27-41(48-39)37(23-17-14-11-8-5-2)43-29-31-45(50-43)47(34-20-19-21-35(52)33-34)46-32-30-44(51-46)38(24-18-15-12-9-6-3)42-28-26-40(36)49-42/h19-21,25-33,48,51-52H,4-18,22-24H2,1-3H3/b39-36-,40-36-,41-37-,42-38-,43-37-,44-38-,47-45-,47-46-
InChIKey OWSHSLRUAHLZBA-AEKXSQBHSA-N
Molecular Weight 697.024 g/mol
SMILES [nH]1c2c(-c3cc(ccc3)O)c3nc(c(c4ccc(c(c5nc(c(c1cc2)CCCCCCC)cc5)CCCCCCC)[nH]4)CCCCCCC)cc3
SPLASH splash10-0002-0000009000-f293340a1ad20e8a2250
Source of Spectrum KC-61-5563-91
Synonyms 3-[7,12,17-triheptyl-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 1629541