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[N1,N3,NH2-(15)-N-(3)]-ADENINE

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[N1,N3,NH2-(15)-N-(3)]-ADENINE
SpectraBase Compound ID Efi5TnySU2P
InChI InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)/i6+1,8+1,10+1
InChIKey GFFGJBXGBJISGV-GLMGUVRWSA-N
Mol Weight 138.11 g/mol
Molecular Formula C5H5N215N3
Exact Mass 138.0456 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5GkPiFZrNiX
Name [N1,N3,NH2-(15)-N-(3)]-ADENINE
Compound Number 7C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C5H5N215N3
InChI InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)/i6+1,8+1,10+1
InChIKey GFFGJBXGBJISGV-GLMGUVRWSA-N
Literature Reference Author M.L.JAIN,Y.P.TSAO,N.L.HO,J.W.CHENG
Literature Reference Citation J.ORG.CHEM.,66,6472(2001)
Literature Reference DOI 10.1021/jo010253q
Molecular Weight 138.108 g/mol
Solvent DMSO-D6
Source File Reference UWVN24790