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5-(p-Tolyl)porphyrin
SpectraBase Compound ID 8L4kaz1PTCB
InChI InChI=1S/C27H20N4/c1-17-2-4-18(5-3-17)27-25-12-10-23(30-25)15-21-8-6-19(28-21)14-20-7-9-22(29-20)16-24-11-13-26(27)31-24/h2-16,28,31H,1H3/b19-14-,20-14-,21-15-,22-16-,23-15-,24-16-,27-25-,27-26-
InChIKey YYRIDGUEGVFKME-YTIBFTMPSA-N
Mol Weight 400.49 g/mol
Molecular Formula C27H20N4
Exact Mass 400.168797 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FiJ0F84x7kO
Name 5-(p-Tolyl)porphyrin
Comments Less than 3 mono-isotopic peaks
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Formula C27H20N4
InChI InChI=1S/C27H20N4/c1-17-2-4-18(5-3-17)27-25-12-10-23(30-25)15-21-8-6-19(28-21)14-20-7-9-22(29-20)16-24-11-13-26(27)31-24/h2-16,28,31H,1H3/b19-14-,20-14-,21-15-,22-16-,23-15-,24-16-,27-25-,27-26-
InChIKey YYRIDGUEGVFKME-YTIBFTMPSA-N
Molecular Weight 400.485 g/mol
SMILES [nH]1c2cc3nc(c(c4ccc(cc5nc(cc1cc2)cc5)[nH]4)-c1ccc(cc1)C)cc3
SPLASH splash10-0udi-0000900000-3116ef21d29629a542a8
Source of Spectrum QE-11-3439-29
Synonyms 2-(4-methylphenyl)-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 1638848