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7-Benzyl-7H-purine-6-carbonitrile
SpectraBase Compound ID 6mQR5RTmrvz
InChI InChI=1S/C13H9N5/c14-6-11-12-13(16-8-15-11)17-9-18(12)7-10-4-2-1-3-5-10/h1-5,8-9H,7H2
InChIKey QKCNXZWPPWUUBF-UHFFFAOYSA-N
Mol Weight 235.25 g/mol
Molecular Formula C13H9N5
Exact Mass 235.085795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID UefVPufzrQ
Name 7-Benzyl-7H-purine-6-carbonitrile
Alternate Name(s) 7-(Phenylmethyl)-6-purinecarbonitrile 7-(Phenylmethyl)purine-6-carbonitrile
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Formula C13H9N5
InChI InChI=1S/C13H9N5/c14-6-11-12-13(16-8-15-11)17-9-18(12)7-10-4-2-1-3-5-10/h1-5,8-9H,7H2
InChIKey QKCNXZWPPWUUBF-UHFFFAOYSA-N
Molecular Weight 235.250 g/mol
SMILES c12[n](cnc2ncnc1C#N)Cc1ccccc1
SPLASH splash10-0006-9030000000-8bab7deaf1b210d40e87
Source of Spectrum SB-50-62-4
Wiley ID 1237058