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9-(2-hydroxyethyl)-1,8-dimethyl-3H-purine-2,6-dione
SpectraBase Compound ID 2DpkbPU7WhJ
InChI InChI=1S/C9H12N4O3/c1-5-10-6-7(13(5)3-4-14)11-9(16)12(2)8(6)15/h14H,3-4H2,1-2H3,(H,11,16)
InChIKey LBGLSAXCQIWJLC-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 Efw7c587axi
Name 9-(2-hydroxyethyl)-1,8-dimethyl-3H-purine-2,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12N4O3
InChI InChI=1S/C9H12N4O3/c1-5-10-6-7(13(5)3-4-14)11-9(16)12(2)8(6)15/h14H,3-4H2,1-2H3,(H,11,16)
InChIKey LBGLSAXCQIWJLC-UHFFFAOYSA-N
Molecular Weight 224.220 g/mol
SMILES N1C(N(C(c2c1[n](CCO)c(n2)C)=O)C)=O
SPLASH splash10-00di-0950000000-2c4e26f7d85a2c566a4a
Source of Spectrum G-63-414-4
Synonyms 9-(2-hydroxyethyl)-1,8-dimethyl-xanthine
Wiley ID 749413