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1H-Purine-2,6-dione, 3,7-dihydro-8-(hydroxymethyl)-1,3,7-trimethyl-
SpectraBase Compound ID 7p4kQfW5ETc
InChI InChI=1S/C9H12N4O3/c1-11-5(4-14)10-7-6(11)8(15)13(3)9(16)12(7)2/h14H,4H2,1-3H3
InChIKey JHHAZAUOIYATAT-UHFFFAOYSA-N
Mol Weight 224.22 g/mol
Molecular Formula C9H12N4O3
Exact Mass 224.09094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eydgqn8D957
Name 1H-Purine-2,6-dione, 3,7-dihydro-8-(hydroxymethyl)-1,3,7-trimethyl-
Alternate Name(s) 8-(Hydroxymethyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione 1,3,7-trimethyl-8-methylol-xanthine 8-(hydroxymethyl)-1,3,7-trimethyl-purine-2,6-dione
CAS Registry Number 4921-51-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12N4O3
InChI InChI=1S/C9H12N4O3/c1-11-5(4-14)10-7-6(11)8(15)13(3)9(16)12(7)2/h14H,4H2,1-3H3
InChIKey JHHAZAUOIYATAT-UHFFFAOYSA-N
Molecular Weight 224.220 g/mol
SMILES OCc1nc2c([n]1C)C(N(C(N2C)=O)C)=O
SPLASH splash10-00di-7390000000-a039100c51bc337b02e2
Source of Spectrum JZ-1992-954-0
Wiley ID 1224523