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4,6-Dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione
SpectraBase Compound ID Ef8uEDwPhJZ
InChI InChI=1S/C15H13N5O2/c1-18-10(9-6-4-3-5-7-9)8-20-11-12(16-14(18)20)19(2)15(22)17-13(11)21/h3-8H,1-2H3,(H,17,21,22)
InChIKey YACVCCVBWTVJCR-UHFFFAOYSA-N
Mol Weight 295.3 g/mol
Molecular Formula C15H13N5O2
Exact Mass 295.106925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4hsKEI8SKbA
Name 4,6-Dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione
Alternate Name(s) 4,6-Dimethyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone
CAS Registry Number 76286-84-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13N5O2
InChI InChI=1S/C15H13N5O2/c1-18-10(9-6-4-3-5-7-9)8-20-11-12(16-14(18)20)19(2)15(22)17-13(11)21/h3-8H,1-2H3,(H,17,21,22)
InChIKey YACVCCVBWTVJCR-UHFFFAOYSA-N
Molecular Weight 295.302 g/mol
SMILES N1C(N(c2nc3[n](c2C1=O)C=C(N3C)c1ccccc1)C)=O
SPLASH splash10-006t-5690000000-a289339f4fa40599374b
Source of Spectrum HC-16-881-0
Wiley ID 1298103