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6-[(E)-3H-2-benzofuran-1-ylidenemethyl]-9-(phenylmethyl)purine
SpectraBase Compound ID I3GxazWrpkD
InChI InChI=1S/C21H16N4O/c1-2-6-15(7-3-1)11-25-14-24-20-18(22-13-23-21(20)25)10-19-17-9-5-4-8-16(17)12-26-19/h1-10,13-14H,11-12H2/b19-10+
InChIKey ALBIURMSGWNSKW-VXLYETTFSA-N
Mol Weight 340.39 g/mol
Molecular Formula C21H16N4O
Exact Mass 340.132411 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3YZ9K29vCS
Name 6-[(E)-3H-2-benzofuran-1-ylidenemethyl]-9-(phenylmethyl)purine
Alternate Name(s) 6-[(E)-3H-2-benzofuran-1-ylidenemethyl]-9-benzylpurine 6-[(E)-3H-isobenzofuran-1-ylidenemethyl]-9-(phenylmethyl)purine 9-Benzyl-6-[(E)-3H-isobenzofuran-1-ylidenemethyl]purine 9-Benzyl-6-[(E)-phthalan-1-ylidenemethyl]purine
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Formula C21H16N4O
InChI InChI=1S/C21H16N4O/c1-2-6-15(7-3-1)11-25-14-24-20-18(22-13-23-21(20)25)10-19-17-9-5-4-8-16(17)12-26-19/h1-10,13-14H,11-12H2/b19-10+
InChIKey ALBIURMSGWNSKW-VXLYETTFSA-N
Molecular Weight 340.386 g/mol
SMILES c1nc2c(ncnc2[n]1Cc1ccccc1)\C=C/1OCc2ccccc12
SPLASH splash10-0006-5079000000-1dd6aa39e5f337ddc446
Source of Spectrum F-62-6127-5
Wiley ID 1633906