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8-Azaxanthine

View entire compound with spectra: 3 NMR, 1 FTIR, 1 Raman, and 2 MS (GC)

8-Azaxanthine
SpectraBase Compound ID E4wmLvqrCiP
InChI InChI=1S/C4H3N5O2/c10-3-1-2(8-9-7-1)5-4(11)6-3/h(H3,5,6,7,8,9,10,11)
InChIKey KVGVQTOQSNJTJI-UHFFFAOYSA-N
Mol Weight 153.1 g/mol
Molecular Formula C4H3N5O2
Exact Mass 153.028674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8sfvjUKiOKL
Name 8-Aza-xanthine
CAS Registry Number 1468-26-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C4H3N5O2
InChI InChI=1S/C4H3N5O2/c10-3-1-2(8-9-7-1)5-4(11)6-3/h(H3,5,6,7,8,9,10,11)
InChIKey KVGVQTOQSNJTJI-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference L.G. Purnell, D.J. Hodgson, Org. Magn. Resonance 10, 1 (1977).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O