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8-Iodo-1,3-diphenyl-6-(phenylthio)benzo[e][1,2,4]triazin-7(1H)-one
SpectraBase Compound ID Bz2Q9AwfQuV
InChI InChI=1S/C25H16IN3OS/c26-22-23-20(16-21(24(22)30)31-19-14-8-3-9-15-19)27-25(17-10-4-1-5-11-17)28-29(23)18-12-6-2-7-13-18/h1-16H
InChIKey JXUZCXUUFYXDJK-UHFFFAOYSA-N
Mol Weight 533.39 g/mol
Molecular Formula C25H16IN3OS
Exact Mass 533.005878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AAmLxZS9PY1
Name 8-Iodo-1,3-diphenyl-6-(phenylthio)benzo[e][1,2,4]triazin-7(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H16IN3OS
InChI InChI=1S/C25H16IN3OS/c26-22-23-20(16-21(24(22)30)31-19-14-8-3-9-15-19)27-25(17-10-4-1-5-11-17)28-29(23)18-12-6-2-7-13-18/h1-16H
InChIKey JXUZCXUUFYXDJK-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo200966k
Molecular Weight 533.387 g/mol
SMILES C1(=O)C(Sc2ccccc2)=CC2=NC(=NN(c3ccccc3)C2=C1I)c1ccccc1
SPLASH splash10-056r-9311520000-9b981458e62ea4bc9450
Source of Spectrum J-76-5799-7e
Synonyms 8-Iodo-1,3-diphenyl-6-phenylsulfanyl-1,2,4-benzotriazin-7-one 8-Iodanyl-1,3-diphenyl-6-phenylsulfanyl-1,2,4-benzotriazin-7-one
Wiley ID 1746759