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5,10,15,20-Tetrahexylporphyrin

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5,10,15,20-Tetrahexylporphyrin
SpectraBase Compound ID F4uGVqDRf5p
InChI InChI=1S/C44H62N4/c1-5-9-13-17-21-33-37-25-27-39(45-37)34(22-18-14-10-6-2)41-29-31-43(47-41)36(24-20-16-12-8-4)44-32-30-42(48-44)35(23-19-15-11-7-3)40-28-26-38(33)46-40/h25-32,45,48H,5-24H2,1-4H3/b37-33-,38-33-,39-34-,40-35-,41-34-,42-35-,43-36-,44-36-
InChIKey GCSXDWFGECKCBR-NKNGOTKRSA-N
Mol Weight 647.0 g/mol
Molecular Formula C44H62N4
Exact Mass 646.497448 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4hbEfrEc78O
Name 5,10,15,20-Tetrahexylporphyrin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H62N4
InChI InChI=1S/C44H62N4/c1-5-9-13-17-21-33-37-25-27-39(45-37)34(22-18-14-10-6-2)41-29-31-43(47-41)36(24-20-16-12-8-4)44-32-30-42(48-44)35(23-19-15-11-7-3)40-28-26-38(33)46-40/h25-32,45,48H,5-24H2,1-4H3/b37-33-,38-33-,39-34-,40-35-,41-34-,42-35-,43-36-,44-36-
InChIKey GCSXDWFGECKCBR-NKNGOTKRSA-N
Molecular Weight 647.008 g/mol
SMILES [nH]1c2c(c3nc(c(c4ccc(c(c5nc(c(c1cc2)CCCCCC)cc5)CCCCCC)[nH]4)CCCCCC)cc3)CCCCCC
SPLASH splash10-0002-0000019000-5a7ea8ee955479efb707
Source of Spectrum KC-91-5553-52
Synonyms 2,7,12,17-tetrahexyl-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-undecaene
Wiley ID 1629471