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2-Chloranyl-9-(phenylmethyl)-6-thiophen-2-yl-purine
SpectraBase Compound ID 10C4eYu6Ffx
InChI InChI=1S/C16H11ClN4S/c17-16-19-13(12-7-4-8-22-12)14-15(20-16)21(10-18-14)9-11-5-2-1-3-6-11/h1-8,10H,9H2
InChIKey DBQHOROOVOCDLA-UHFFFAOYSA-N
Mol Weight 326.81 g/mol
Molecular Formula C16H11ClN4S
Exact Mass 326.039295 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 84TXXR9A6dn
Name 2-Chloranyl-9-(phenylmethyl)-6-thiophen-2-yl-purine
Alternate Name(s) 2-Chloro-9-(phenylmethyl)-6-thiophen-2-ylpurine 9-Benzyl-2-chloro-6-(2-thienyl)purine 9-Benzyl-2-chloro-6-thiophen-2-ylpurine
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Formula C16H11ClN4S
InChI InChI=1S/C16H11ClN4S/c17-16-19-13(12-7-4-8-22-12)14-15(20-16)21(10-18-14)9-11-5-2-1-3-6-11/h1-8,10H,9H2
InChIKey DBQHOROOVOCDLA-UHFFFAOYSA-N
Molecular Weight 326.805 g/mol
SMILES c12c([n](Cc3ccccc3)cn1)nc(nc2-c1sccc1)Cl
SPLASH splash10-004l-6019000000-89e7359dec97fceeccff
Source of Spectrum F-52-5632-3
Wiley ID 796284