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[2-(13)C-1,3-(15)N2]-2-MERCAPTOHYPOXANTHINE
SpectraBase Compound ID 2Zi6SjPSBEm
InChI InChI=1S/C5H4N4OS.Na/c10-4-2-3(7-1-6-2)8-5(11)9-4;/h1H,(H3,6,7,8,9,10,11);/q;+1/p-1/i5+1,8+1,9+1;
InChIKey MYSULTPODUXIGN-GWFXBUFQSA-M
Mol Weight 193.13 g/mol
Molecular Formula C413CH3N215N2NaOS
Exact Mass 192.989951 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9mLjj7bfUFM
Name [2-(13)C-1,3-(15)N2]-2-MERCAPTOHYPOXANTHINE
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
InChI InChI=1S/C5H4N4OS.Na/c10-4-2-3(7-1-6-2)8-5(11)9-4;/h1H,(H3,6,7,8,9,10,11);/q;+1/p-1/i5+1,8+1,9+1;
InChIKey MYSULTPODUXIGN-GWFXBUFQSA-M
Literature Reference Author J.L.ABAD,B.L.GAFFNEY,R.A.JONES
Literature Reference Citation J.ORG.CHEM.,64,6575(1999)
Literature Reference DOI 10.1021/jo982372k
Molecular Weight 192.142 g/mol
Sample ID 59435
Solvent DMSO-D6