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[2-(13)C-1,3-(15)N2]-2-(METHYLTHIO)-HYPOXANTHINE
SpectraBase Compound ID DhhjRtHZTca
InChI InChI=1S/C6H6N4OS/c1-12-6-9-4-3(5(11)10-6)7-2-8-4/h2H,1H3,(H2,7,8,9,10,11)/i6+1,9+1,10+1
InChIKey OTLARBCFYJPBDK-BLTSRDRCSA-N
Mol Weight 185.18 g/mol
Molecular Formula C513CH6N215N2OS
Exact Mass 185.023657 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1fRKxIhVkwS
Name [2-(13)C-1,3-(15)N2]-2-(METHYLTHIO)-HYPOXANTHINE
Compound Number 11B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H6N215N2OS
InChI InChI=1S/C6H6N4OS/c1-12-6-9-4-3(5(11)10-6)7-2-8-4/h2H,1H3,(H2,7,8,9,10,11)/i6+1,9+1,10+1
InChIKey OTLARBCFYJPBDK-BLTSRDRCSA-N
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
Solvent D2O
Source File Reference UWLU59440