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Creatine cation
SpectraBase Compound ID K53kdMmsVYO
InChI InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H4,5,6,8,9)/p+1
InChIKey WXOFJMWQRNARBH-UHFFFAOYSA-O
Mol Weight 132.14 g/mol
Molecular Formula C4H10N3O2
Exact Mass 132.077302 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BLJXvIiIL8a
Name Creatine cation
CAS Registry Number 6020-87-7#
Comments hydrochloride
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C4H10N3O2
InChI InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H4,5,6,8,9)/p+1
InChIKey WXOFJMWQRNARBH-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