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9-Benzyl-6-(4-phenyl-1-butyn-1-yl)-9H-purine
SpectraBase Compound ID KgMWUnpkYeK
InChI InChI=1S/C22H18N4/c1-3-9-18(10-4-1)11-7-8-14-20-21-22(24-16-23-20)26(17-25-21)15-19-12-5-2-6-13-19/h1-6,9-10,12-13,16-17H,7,11,15H2
InChIKey VWPCGVOBMXIYSG-UHFFFAOYSA-N
Mol Weight 338.41 g/mol
Molecular Formula C22H18N4
Exact Mass 338.153147 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4hndcpkIyuk
Name 9-Benzyl-6-(4-phenyl-1-butyn-1-yl)-9H-purine
Alternate Name(s) 9-Benzyl-6-(4-phenyl-1-butynyl)-9H-purine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18N4
InChI InChI=1S/C22H18N4/c1-3-9-18(10-4-1)11-7-8-14-20-21-22(24-16-23-20)26(17-25-21)15-19-12-5-2-6-13-19/h1-6,9-10,12-13,16-17H,7,11,15H2
InChIKey VWPCGVOBMXIYSG-UHFFFAOYSA-N
Molecular Weight 338.414 g/mol
SMILES c1nc2c(ncnc2[n]1Cc1ccccc1)C#CCCc1ccccc1
SPLASH splash10-000g-9048000000-e40241f7dd1864471025
Source of Spectrum F-62-6130-12
Wiley ID 1633894