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Creatinine

View entire compound with spectra: 10 NMR, 3 FTIR, and 14 MS (GC)

Creatinine
SpectraBase Compound ID 8LXprxLhOYK
InChI InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)
InChIKey DDRJAANPRJIHGJ-UHFFFAOYSA-N
Mol Weight 113.12 g/mol
Molecular Formula C4H7N3O
Exact Mass 113.058912 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HbuRhebGe0t
Name CREATININE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C4H7N3O
InChI InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)
InChIKey DDRJAANPRJIHGJ-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 113.119 g/mol
Sample ID 28610
Solvent D2O