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Creatininium cation

View entire compound with spectra: 4 NMR

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 4vNShKK6qGM
Name Creatininium cation
Comments MEASURED AS 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 CFT-20
Literature Reference R.L. Smith, D.W. Cochran, P.Gund, J. Am. Chem. Soc. 101, 191 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6