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1-(5-ketohexyl)-3,7-dimethyl-9H-purine-2,6,8-trione
SpectraBase Compound ID 13TARbRsjbE
InChI InChI=1S/C13H18N4O4/c1-8(18)6-4-5-7-17-11(19)9-10(16(3)13(17)21)14-12(20)15(9)2/h4-7H2,1-3H3,(H,14,20)
InChIKey KJKRWZRXCSTYHA-UHFFFAOYSA-N
Mol Weight 294.31 g/mol
Molecular Formula C13H18N4O4
Exact Mass 294.132805 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2WBgTkHFzTP
Name 1-(5-ketohexyl)-3,7-dimethyl-9H-purine-2,6,8-trione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18N4O4
InChI InChI=1S/C13H18N4O4/c1-8(18)6-4-5-7-17-11(19)9-10(16(3)13(17)21)14-12(20)15(9)2/h4-7H2,1-3H3,(H,14,20)
InChIKey KJKRWZRXCSTYHA-UHFFFAOYSA-N
Molecular Weight 294.311 g/mol
SMILES N1C(N(C2=C1N(C(N(C2=O)CCCCC(=O)C)=O)C)C)=O
SPLASH splash10-0f6w-2960000000-d87871618d84310033f0
Source of Spectrum KC-0-679-31
Synonyms 3,7-Dimethyl-1-(5-oxidanylidenehexyl)-9H-purine-2,6,8-trione 3,7-Dimethyl-1-(5-oxohexyl)-9H-purine-2,6,8-trione
Wiley ID 827719