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2-THIO-8-AZAXANTHIN

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2-THIO-8-AZAXANTHIN
SpectraBase Compound ID BmgbATRIvYv
InChI InChI=1S/C4H3N5OS/c10-3-1-2(8-9-7-1)5-4(11)6-3/h(H3,5,6,7,8,9,10,11)
InChIKey YLORBLDFYRRZLA-UHFFFAOYSA-N
Mol Weight 169.16 g/mol
Molecular Formula C4H3N5OS
Exact Mass 169.005831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1PWS4a54Nu
Name 2-Thio-8-aza-xanthine
CAS Registry Number 31571-52-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C4H3N5OS
InChI InChI=1S/C4H3N5OS/c10-3-1-2(8-9-7-1)5-4(11)6-3/h(H3,5,6,7,8,9,10,11)
InChIKey YLORBLDFYRRZLA-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