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21H,23H-Porphine-5,10-dicarboxaldehyde, 2,3,7,8,12,13,17,18-octaethyl-
SpectraBase Compound ID 5jFp854JrXD
InChI InChI=1S/C38H46N4O2/c1-9-21-22(10-2)32-18-34-24(12-4)26(14-6)36(41-34)30(20-44)38-28(16-8)27(15-7)37(42-38)29(19-43)35-25(13-5)23(11-3)33(40-35)17-31(21)39-32/h17-20,40-41H,9-16H2,1-8H3/b31-17-,32-18-,33-17-,34-18-,35-29-,36-30-,37-29-,38-30-
InChIKey HFPLQTNOMHYNIG-IQGFBZIOSA-N
Mol Weight 590.8 g/mol
Molecular Formula C38H46N4O2
Exact Mass 590.362077 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 84rBqQ5HVA7
Name 21H,23H-Porphine-5,10-dicarboxaldehyde, 2,3,7,8,12,13,17,18-octaethyl-
CAS Registry Number 76643-56-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H46N4O2
InChI InChI=1S/C38H46N4O2/c1-9-21-22(10-2)32-18-34-24(12-4)26(14-6)36(41-34)30(20-44)38-28(16-8)27(15-7)37(42-38)29(19-43)35-25(13-5)23(11-3)33(40-35)17-31(21)39-32/h17-20,40-41H,9-16H2,1-8H3/b31-17-,32-18-,33-17-,34-18-,35-29-,36-30-,37-29-,38-30-
InChIKey HFPLQTNOMHYNIG-IQGFBZIOSA-N
Molecular Weight 590.812 g/mol
SMILES [nH]1c2c(c(c1cc1nc(cc3[nH]c(c(c4nc(c2C=O)c(c4CC)CC)C=O)c(c3CC)CC)c(c1CC)CC)CC)CC
SPLASH splash10-0006-0000090000-9fa072c6e178636e1886
Source of Spectrum KC-1982-585-0
Synonyms .alpha.,.beta.-diformyloctaethylporphyrin 4,5,9,10,14,15,19,20-octaethyl-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-undecaene-2,7-dicarbaldehyde
Wiley ID 1409375