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6-(Phenylthio)-9H-purine

View entire compound with spectra: 1 MS (GC)

6-(Phenylthio)-9H-purine
SpectraBase Compound ID Hq0AQgcNCwl
InChI InChI=1S/C11H8N4S/c1-2-4-8(5-3-1)16-11-9-10(13-6-12-9)14-7-15-11/h1-7H,(H,12,13,14,15)
InChIKey CTDPZFBZKUUAED-UHFFFAOYSA-N
Mol Weight 228.27 g/mol
Molecular Formula C11H8N4S
Exact Mass 228.046967 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HiwOBLNs8wq
Name 6-(Phenylthio)-9H-purine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8N4S
InChI InChI=1S/C11H8N4S/c1-2-4-8(5-3-1)16-11-9-10(13-6-12-9)14-7-15-11/h1-7H,(H,12,13,14,15)
InChIKey CTDPZFBZKUUAED-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol063136w
Molecular Weight 228.273 g/mol
SMILES [nH]1cnc2c1ncnc2Sc1ccccc1
SPLASH splash10-004i-0090000000-c5ca797af72b653a1a8a
Source of Spectrum A1-9-1639/SMS39-14
Synonyms 6-Phenylsulfanyl-7H-purine
Wiley ID 1757954