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Xanthine
SpectraBase Compound ID JRUx3fgMYn6
InChI InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
InChIKey LRFVTYWOQMYALW-UHFFFAOYSA-N
Mol Weight 152.11 g/mol
Molecular Formula C5H4N4O2
Exact Mass 152.033425 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EbSlqdGZ3v7
Name 1H-Purine-2,6-dione, 3,7-dihydro-
Alternate Name(s) 1H-Purine-2,6-diol 2,6(1,3)-Purinedion 2,6-Dihydroxypurine 2,6-Dioxo-1,2,3,6-tetrahydropurine 2,6-Dioxopurine 3,7-Dihydro-1H-purine-2,6-dione 3,7-Dihydropurine-2,6-dione 9H-purine-2,6-(1H,3H)-dione 9H-Purine-2,6-diol Dioxopurine Isoxanthine Pseudoxanthine Purine-2(3H),6(1H)-dione Purine-2,6-(1H,3H)-dione Purine-2,6-diol XAN Xanthic oxide Xanthin Xanthine USAF CB-17 AI3-52268 CCRIS 994 EINECS 200-718-6 EPA PESTICIDE CHEMICAL CODE 116900 NSC 14664
CAS Registry Number 69-89-6
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Formula C5H4N4O2
InChI InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
InChIKey LRFVTYWOQMYALW-UHFFFAOYSA-N
Molecular Weight 152.113 g/mol
SMILES Oc1c2nc[nH]c2nc(n1)O
SPLASH splash10-069r-9300000000-0f5bb12f045f960e463f
Source of Spectrum T-66-102-0
Wiley ID 1148478