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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 3BxwRRXQg6S
Name 5-THIO-1H-v-TRIAZOLO[4,5-d]PYRIMIDINE-5,7(4H,6H)-DIONE
Source of Sample L. G. Purnell, D. J. Hodgson Org. Magn. Resonance 10, 1(1977)
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. 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
Molecular Weight 169.17
Solvent Deuterium oxide; Reference=Dioxane; Temperature=Ambient Spectrometer= Varian XL-100
Synonyms TRIAZOLO/4,5-D/PYRIMIDINE- 5,7/4H,6H/-DIONE, 1H-V-, 5-THIO-, TRIAZOLO/4,5-D/PYRIMIDIN-7/6H/-ONE, 1H-V-, 4,5-DIHYDRO-5-THIOXO-,