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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 6Z5CtMO9nDf
Name 1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Exact Mass 152.033425383 u
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
Nominal Mass 152 u
Number of Peaks 43
SMILES [nH]1c2C(=O)NC(=O)Nc2nc1
SPLASH splash10-0udi-7900000000-2d5ab5d5db8ff4981467
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX_001029