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2,8-Dinitro-5,10,15,20-tetraphenylporphyrin
SpectraBase Compound ID 6UJ9NTdE92J
InChI InChI=1S/C44H28N6O4/c51-49(52)37-25-35-40(28-15-7-2-8-16-28)36-26-38(50(53)54)44(48-36)42(30-19-11-4-12-20-30)34-24-22-32(46-34)39(27-13-5-1-6-14-27)31-21-23-33(45-31)41(43(37)47-35)29-17-9-3-10-18-29/h1-26,45,48H/b39-31-,39-32-,40-35-,40-36-,41-33-,42-34-,43-41-,44-42-
InChIKey RVQVVTFWHSVOND-IGCUXNNBSA-N
Mol Weight 704.7 g/mol
Molecular Formula C44H28N6O4
Exact Mass 704.217203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GSK3uKShd61
Name 2,8-Dinitro-5,10,15,20-tetraphenylporphyrin
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Formula C44H28N6O4
InChI InChI=1S/C44H28N6O4/c51-49(52)37-25-35-40(28-15-7-2-8-16-28)36-26-38(50(53)54)44(48-36)42(30-19-11-4-12-20-30)34-24-22-32(46-34)39(27-13-5-1-6-14-27)31-21-23-33(45-31)41(43(37)47-35)29-17-9-3-10-18-29/h1-26,45,48H/b39-31-,39-32-,40-35-,40-36-,41-33-,42-34-,43-41-,44-42-
InChIKey RVQVVTFWHSVOND-IGCUXNNBSA-N
Molecular Weight 704.746 g/mol
SMILES [nH]1c2c(c3nc(c(c4cc(c(c(c5nc(c(c1cc2)-c1ccccc1)cc5)-c1ccccc1)[nH]4)N(=O)=O)-c1ccccc1)cc3N(=O)=O)-c1ccccc1
SPLASH splash10-0a4l-6020009400-8996525ef5eeeb51b7fa
Source of Spectrum C5-2005-822-4
Synonyms 4,10-dinitro-2,7,12,17-tetraphenyl-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 1618227