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2-Benzyl-5-[(8-phenyl-9H-purin-6-yl)thio]-1,3,4-oxadiazole
SpectraBase Compound ID 8cEs2BPnklY
InChI InChI=1S/C20H14N6OS/c1-3-7-13(8-4-1)11-15-25-26-20(27-15)28-19-16-18(21-12-22-19)24-17(23-16)14-9-5-2-6-10-14/h1-10,12H,11H2,(H,21,22,23,24)
InChIKey JRVVSMNZPGOWDO-UHFFFAOYSA-N
Mol Weight 386.43 g/mol
Molecular Formula C20H14N6OS
Exact Mass 386.09498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 68hXs7QtFvc
Name 2-Benzyl-5-[(8-phenyl-9H-purin-6-yl)thio]-1,3,4-oxadiazole
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H14N6OS
InChI InChI=1S/C20H14N6OS/c1-3-7-13(8-4-1)11-15-25-26-20(27-15)28-19-16-18(21-12-22-19)24-17(23-16)14-9-5-2-6-10-14/h1-10,12H,11H2,(H,21,22,23,24)
InChIKey JRVVSMNZPGOWDO-UHFFFAOYSA-N
Instrument Name Thermofinnigan MAT95XL
Ionization Type EI
Molecular Weight 386.433 g/mol
SMILES [nH]1c(nc2c1ncnc2Sc1oc(Cc2ccccc2)nn1)-c1ccccc1
SPLASH splash10-014l-5191000000-b2d1ad2ab9f409f9e581
Source of Spectrum WO2014079545A1
Wiley ID 1850016