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6-Chloranyl-2-(2-phenylethynyl)-9-(phenylmethyl)purine
SpectraBase Compound ID 7AdLZ0Edzwf
InChI InChI=1S/C20H13ClN4/c21-19-18-20(25(14-22-18)13-16-9-5-2-6-10-16)24-17(23-19)12-11-15-7-3-1-4-8-15/h1-10,14H,13H2
InChIKey SZUQBUZTVVRRLT-UHFFFAOYSA-N
Mol Weight 344.81 g/mol
Molecular Formula C20H13ClN4
Exact Mass 344.082874 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID OqUJmiCspG
Name 6-Chloranyl-2-(2-phenylethynyl)-9-(phenylmethyl)purine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H13ClN4
InChI InChI=1S/C20H13ClN4/c21-19-18-20(25(14-22-18)13-16-9-5-2-6-10-16)24-17(23-19)12-11-15-7-3-1-4-8-15/h1-10,14H,13H2
InChIKey SZUQBUZTVVRRLT-UHFFFAOYSA-N
Molecular Weight 344.805 g/mol
SMILES c12c(nc[n]2Cc2ccccc2)c(Cl)nc(n1)C#Cc1ccccc1
SPLASH splash10-0006-5009000000-8a8137a472478eabb7b7
Source of Spectrum F-52-5635-9
Synonyms 6-Chloro-2-(2-phenylethynyl)-9-(phenylmethyl)purine 9-Benzyl-6-chloro-2-(2-phenylethynyl)purine
Wiley ID 796274