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Creatininium cation

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Creatininium cation
SpectraBase Compound ID 8LXpYbBOejo
InChI InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)/p+1
InChIKey DDRJAANPRJIHGJ-UHFFFAOYSA-O
Mol Weight 114.13 g/mol
Molecular Formula C4H8N3O
Exact Mass 114.066737 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6xPDVzNqV0i
Name Creatininium cation
Comments hydrochloride
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C4H8N3O
InChI InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)/p+1
InChIKey DDRJAANPRJIHGJ-UHFFFAOYSA-O
Instrument Name Varian XL-100
Literature Reference R.F. Dietrich, M.A. Marletta, G.L.Kenyon, Org. Magn. Resonance 13, 79 (1980).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O