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2,2'-Methylenebis(3-methyl-5,7-diphenyl[1,2,4]triazolo[1,5-a]pyrimidinium)
SpectraBase Compound ID FmvFGcNKbC1
InChI InChI=1S/C37H30N8/c1-42-34(40-44-32(28-19-11-5-12-20-28)23-30(38-36(42)44)26-15-7-3-8-16-26)25-35-41-45-33(29-21-13-6-14-22-29)24-31(39-37(45)43(35)2)27-17-9-4-10-18-27/h3-24H,25H2,1-2H3/q+2
InChIKey RZCBCRDPPPSKDQ-UHFFFAOYSA-N
Mol Weight 586.7 g/mol
Molecular Formula C37H30N8
Exact Mass 586.259343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 90WARPnDOHz
Name 2,2'-Methylenebis(3-methyl-5,7-diphenyl[1,2,4]triazolo[1,5-a]pyrimidinium)
CAS Registry Number 301540-43-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H30N8
InChI InChI=1S/C37H30N8/c1-42-34(40-44-32(28-19-11-5-12-20-28)23-30(38-36(42)44)26-15-7-3-8-16-26)25-35-41-45-33(29-21-13-6-14-22-29)24-31(39-37(45)43(35)2)27-17-9-4-10-18-27/h3-24H,25H2,1-2H3/q+2
InChIKey RZCBCRDPPPSKDQ-UHFFFAOYSA-N
Molecular Weight 586.703 g/mol
SMILES c1(cc([n+]2c(n1)[n](c(n2)Cc1n[n+]2c([n]1C)nc(cc2-c1ccccc1)-c1ccccc1)C)-c1ccccc1)-c1ccccc1
SPLASH splash10-01rx-9660000000-a3e41f35451b665080dc
Synonyms 3-Methyl-2-[(3-methyl-5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-2-yl)methyl]-5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium
Wiley ID 1470101