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POTASSIUM-(S)-2-[(4-AMINO-3-METHYL-5-NITROSO-6-OXO-1,6-DIHYDRO)-PYRIMIDIN-2-YL]-AMINOPROPANOATE-DIHYDRATE
SpectraBase Compound ID 1Cdvj3qe4Mp
InChI InChI=1S/C8H11N5O4.K/c1-3(7(15)16)10-8-11-5(9)4(12-17)6(14)13(8)2;/h3H,9H2,1-2H3,(H,10,11)(H,15,16);/q;+1/p-1/t3-;/m0./s1
InChIKey XYEVYFGGMPCSTC-DFWYDOINSA-M
Mol Weight 279.3 g/mol
Molecular Formula C8H10KN5O4
Exact Mass 279.036985 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ako0iouP6C6
Name POTASSIUM-(S)-2-[(4-AMINO-3-METHYL-5-NITROSO-6-OXO-1,6-DIHYDRO)-PYRIMIDIN-2-YL]-AMINOPROPANOATE-DIHYDRATE
Compound Number 3F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H10KN5O4
InChI InChI=1S/C8H11N5O4.K/c1-3(7(15)16)10-8-11-5(9)4(12-17)6(14)13(8)2;/h3H,9H2,1-2H3,(H,10,11)(H,15,16);/q;+1/p-1/t3-;/m0./s1
InChIKey XYEVYFGGMPCSTC-DFWYDOINSA-M
Literature Reference Author M.MELGUIZO,A.MARCHAL,M.NOGUERAS,A.SANCHEZ,J.N.LOW
Literature Reference Citation J.HETCYCL.CHEM.,39,97(2002)
Literature Reference DOI 10.1002/jhet.5570390114
Molecular Weight 279.297 g/mol
Solvent DMSO-D6
Source File Reference UWSI8514