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creatinine, monohydrochloride

View entire compound with spectra: 3 NMR, 1 FTIR, and 3 UV-Vis

creatinine, monohydrochloride
SpectraBase Compound ID HtPE2TqcLeb
InChI InChI=1S/C4H7N3O.ClH/c1-7-2-3(8)6-4(7)5;/h2H2,1H3,(H2,5,6,8);1H
InChIKey PJYONPGZTHDDJM-UHFFFAOYSA-N
Mol Weight 149.58 g/mol
Molecular Formula C4H8ClN3O
Exact Mass 149.03559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LklQMzttkAO
Name CREATININE
Compound Number 4*HCL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C4H8ClN3O
InChI InChI=1S/C4H7N3O.ClH/c1-7-2-3(8)6-4(7)5;/h2H2,1H3,(H2,5,6,8);1H
InChIKey PJYONPGZTHDDJM-UHFFFAOYSA-N
Literature Reference Author A.OLOFSON,K.YAKUSHIJIN,D.A.HORNE
Literature Reference Citation J.ORG.CHEM.,63,5787(1998)
Literature Reference DOI 10.1021/jo972295d
Molecular Weight 149.580 g/mol
Sample ID 28613
Solvent D2O