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1-Acetonyl-3,7-dimethyl-9H-purine-2,6,8-trione
SpectraBase Compound ID 5tL2fuAtboi
InChI InChI=1S/C10H12N4O4/c1-5(15)4-14-8(16)6-7(13(3)10(14)18)11-9(17)12(6)2/h4H2,1-3H3,(H,11,17)
InChIKey IYHHQKILCVBBHP-UHFFFAOYSA-N
Mol Weight 252.23 g/mol
Molecular Formula C10H12N4O4
Exact Mass 252.085855 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LjaAO6n73xr
Name 1-Acetonyl-3,7-dimethyl-9H-purine-2,6,8-trione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12N4O4
InChI InChI=1S/C10H12N4O4/c1-5(15)4-14-8(16)6-7(13(3)10(14)18)11-9(17)12(6)2/h4H2,1-3H3,(H,11,17)
InChIKey IYHHQKILCVBBHP-UHFFFAOYSA-N
Molecular Weight 252.230 g/mol
SMILES N1C(N(C2=C1N(C(N(C2=O)CC(=O)C)=O)C)C)=O
SPLASH splash10-0zfs-0490000000-072c43c461f1e093b0e0
Source of Spectrum KC-0-679-32
Synonyms 3,7-Dimethyl-1-(2-oxidanylidenepropyl)-9H-purine-2,6,8-trione 3,7-Dimethyl-1-(2-oxopropyl)-9H-purine-2,6,8-trione
Wiley ID 827718