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6-(p-Fluorobenzyl)sulfanyl-9H-purine
SpectraBase Compound ID BOdz4oqo9gY
InChI InChI=1S/C12H9FN4S/c13-9-3-1-8(2-4-9)5-18-12-10-11(15-6-14-10)16-7-17-12/h1-4,6-7H,5H2,(H,14,15,16,17)
InChIKey KKAXVTODRVIGGR-UHFFFAOYSA-N
Mol Weight 260.29 g/mol
Molecular Formula C12H9FN4S
Exact Mass 260.053196 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0mGZyjdAOm
Name 6-(p-Fluorobenzyl)sulfanyl-9H-purine
Alternate Name(s) 6-[(4-fluorophenyl)methylthio]-7H-purine 6-[(4-fluorophenyl)methylsulfanyl]-7H-purine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9FN4S
InChI InChI=1S/C12H9FN4S/c13-9-3-1-8(2-4-9)5-18-12-10-11(15-6-14-10)16-7-17-12/h1-4,6-7H,5H2,(H,14,15,16,17)
InChIKey KKAXVTODRVIGGR-UHFFFAOYSA-N
Molecular Weight 260.290 g/mol
SMILES [nH]1cnc2c1ncnc2SCc1ccc(cc1)F
SPLASH splash10-08i0-2790000000-7caefd91dd1299270ffe
Source of Spectrum AF-48-718-14
Wiley ID 1693855