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6-Ethenyl-1,3,6,7-tetrahydro-1,3,7-tribenzyl-2H-purin-2-one
SpectraBase Compound ID 6IIaYWXnadR
InChI InChI=1S/C28H26N4O/c1-2-25-26-27(29-21-30(26)18-22-12-6-3-7-13-22)32(20-24-16-10-5-11-17-24)28(33)31(25)19-23-14-8-4-9-15-23/h2-17,21,25H,1,18-20H2
InChIKey OSHIWUGAWLQALZ-UHFFFAOYSA-N
Mol Weight 434.54 g/mol
Molecular Formula C28H26N4O
Exact Mass 434.210661 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2sYJXiYsWO
Name 6-Ethenyl-1,3,6,7-tetrahydro-1,3,7-tribenzyl-2H-purin-2-one
Alternate Name(s) 1,3,7-tribenzyl-6-vinyl-1,3,6,7-tetrahydro-2H-purin-2-one 1,3,7-tribenzyl-6-ethenyl-6H-purin-2-one 6-Ethenyl-1,3,7-tris(phenylmethyl)-6H-purin-2-one
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Formula C28H26N4O
InChI InChI=1S/C28H26N4O/c1-2-25-26-27(29-21-30(26)18-22-12-6-3-7-13-22)32(20-24-16-10-5-11-17-24)28(33)31(25)19-23-14-8-4-9-15-23/h2-17,21,25H,1,18-20H2
InChIKey OSHIWUGAWLQALZ-UHFFFAOYSA-N
Molecular Weight 434.543 g/mol
SMILES c12N(C(=O)N(C(c2[n](Cc2ccccc2)cn1)C=C)Cc1ccccc1)Cc1ccccc1
SPLASH splash10-0a4l-6000900000-eda0ac7c429afa6998de
Source of Spectrum F-51-3661-7
Wiley ID 791424